REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3clw_1_B DATA FIRST_RESID 28 DATA SEQUENCE KKVFIIDKQT VYQEIDNFSA SDAWRCAFIG KNWPQEKKEK IADLLFKREF DATA SEQUENCE DEKGNPIGMA LTNWRVNIGA GSYENREAKE VDNSWNRTEC FLSPDGKYDF DATA SEQUENCE TKQAGQQWFM KAARERGMNN FLFFTNSAPY FMTRSASTVS TDQDCINLQN DATA SEQUENCE DKFDDFARFL VKSAQHFREQ GFHVNYISPN NEPNGQWHAN SFQEGSFATK DATA SEQUENCE ADLYRMVEEL DKAISEAQID TKILIPEVGD MKYLFEIDSI AKTPDDIIHS DATA SEQUENCE MFYKDGQYSV LKFKNLFNCV AAHDYWSAYP ATLLVDIRNR IHKELSANGH DATA SEQUENCE NTKFWASEYC ILEKNEEITM PASPERSINL GLYVARIIHN DLTLANASAW DATA SEQUENCE QWWTAVSLGE DVPIQLLPLE GSNGLSLQYD GEISTTKMLW TTANYSFFVR DATA SEQUENCE PGMKRIAIKP TYKISDLEAA TSLMISSYTD GKEVVTVAIN YSKENQVISL DATA SEQUENCE NCDHAQKGKV YLTTIDKNLR YMGEQPLKKL QLPARSVATI VV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.596 176.600 -0.006 0.000 0.988 28 K CA 0.000 56.293 56.287 0.010 0.000 0.838 28 K CB 0.000 32.504 32.500 0.007 0.000 1.064 29 K N 1.717 122.124 120.400 0.011 0.000 2.378 29 K HA 0.456 4.776 4.320 -0.000 0.000 0.252 29 K C -1.487 175.064 176.600 -0.082 0.000 0.931 29 K CA -0.776 55.474 56.287 -0.062 0.000 0.794 29 K CB 2.426 34.928 32.500 0.004 0.000 1.181 29 K HN 0.315 nan 8.250 nan 0.000 0.425 30 V N 4.391 124.156 119.914 -0.248 0.000 2.513 30 V HA 0.665 4.785 4.120 -0.000 0.000 0.299 30 V C -1.648 174.190 176.094 -0.427 0.000 1.035 30 V CA -0.427 61.767 62.300 -0.178 0.000 0.889 30 V CB 0.678 32.445 31.823 -0.093 0.000 0.988 30 V HN 0.617 nan 8.190 nan 0.000 0.440 31 F N 5.855 125.810 119.950 0.009 0.000 2.547 31 F HA 0.656 5.183 4.527 -0.000 0.000 0.316 31 F C -0.277 175.531 175.800 0.014 0.000 1.121 31 F CA -0.570 57.438 58.000 0.013 0.000 0.911 31 F CB 2.023 41.032 39.000 0.015 0.000 1.179 31 F HN 0.277 nan 8.300 nan 0.000 0.443 32 I N 4.463 125.134 120.570 0.167 0.000 2.355 32 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 32 I C -0.341 175.839 176.117 0.105 0.000 0.999 32 I CA -0.191 61.170 61.300 0.103 0.000 1.163 32 I CB 1.140 39.172 38.000 0.053 0.000 1.316 32 I HN 0.405 nan 8.210 nan 0.000 0.454 33 I N 5.560 126.182 120.570 0.086 0.000 2.471 33 I HA 0.091 4.261 4.170 -0.000 0.000 0.286 33 I C -0.006 176.138 176.117 0.046 0.000 1.079 33 I CA 0.282 61.621 61.300 0.065 0.000 1.398 33 I CB 0.496 38.527 38.000 0.052 0.000 1.403 33 I HN 0.522 nan 8.210 nan 0.000 0.530 34 D N 6.630 127.053 120.400 0.039 0.000 2.462 34 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 34 D C 0.679 176.977 176.300 -0.003 0.000 1.117 34 D CA -0.472 53.540 54.000 0.019 0.000 0.900 34 D CB 0.817 41.629 40.800 0.020 0.000 1.039 34 D HN 0.339 nan 8.370 nan 0.000 0.516 35 K N 1.567 121.967 120.400 0.002 0.000 2.442 35 K HA -0.156 4.164 4.320 -0.000 0.000 0.199 35 K C 1.204 177.788 176.600 -0.027 0.000 1.044 35 K CA 0.881 57.165 56.287 -0.006 0.000 0.941 35 K CB 0.348 32.854 32.500 0.009 0.000 0.759 35 K HN 0.296 nan 8.250 nan 0.000 0.472 36 Q N -0.186 119.594 119.800 -0.033 0.000 2.354 36 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 36 Q C -0.105 175.840 176.000 -0.091 0.000 0.933 36 Q CA 0.740 56.515 55.803 -0.046 0.000 0.901 36 Q CB 0.868 29.588 28.738 -0.028 0.000 1.007 36 Q HN 0.007 nan 8.270 nan 0.000 0.495 37 T N 0.635 115.115 114.554 -0.124 0.000 2.811 37 T HA 0.413 4.763 4.350 -0.000 0.000 0.309 37 T C -0.787 173.643 174.700 -0.450 0.000 1.005 37 T CA -0.276 61.673 62.100 -0.252 0.000 0.955 37 T CB 0.727 69.486 68.868 -0.182 0.000 0.970 37 T HN -0.185 nan 8.240 nan 0.000 0.496 38 V N 4.615 124.257 119.914 -0.454 0.000 2.483 38 V HA 0.498 4.617 4.120 -0.000 0.000 0.295 38 V C -0.620 175.159 176.094 -0.525 0.000 1.035 38 V CA -0.635 61.439 62.300 -0.377 0.000 0.896 38 V CB 1.115 32.852 31.823 -0.144 0.000 0.986 38 V HN 0.733 nan 8.190 nan 0.000 0.447 39 Y N 1.225 121.540 120.300 0.025 0.000 3.288 39 Y HA 0.382 4.932 4.550 -0.000 0.000 0.346 39 Y C 0.842 176.781 175.900 0.066 0.000 1.333 39 Y CA -0.575 57.546 58.100 0.035 0.000 0.853 39 Y CB -0.041 38.418 38.460 -0.001 0.000 1.155 39 Y HN 0.541 nan 8.280 nan 0.000 0.862 40 Q N 2.036 122.010 119.800 0.290 0.000 2.368 40 Q HA 0.090 4.430 4.340 -0.000 0.000 0.237 40 Q C -0.661 175.460 176.000 0.201 0.000 0.987 40 Q CA -0.334 55.596 55.803 0.210 0.000 0.896 40 Q CB 1.173 30.025 28.738 0.190 0.000 1.241 40 Q HN 0.692 nan 8.270 nan 0.000 0.485 41 E N 1.578 121.885 120.200 0.178 0.000 2.331 41 E HA 0.233 4.583 4.350 -0.000 0.000 0.272 41 E C -0.575 176.128 176.600 0.172 0.000 1.036 41 E CA -0.718 55.786 56.400 0.174 0.000 0.864 41 E CB 0.734 30.530 29.700 0.161 0.000 1.035 41 E HN 0.501 nan 8.360 nan 0.000 0.408 42 I N 4.595 125.258 120.570 0.154 0.000 2.342 42 I HA 0.040 4.210 4.170 -0.000 0.000 0.291 42 I C 0.598 176.761 176.117 0.077 0.000 1.010 42 I CA -0.050 61.299 61.300 0.081 0.000 1.308 42 I CB 1.069 39.122 38.000 0.088 0.000 1.400 42 I HN 0.701 nan 8.210 nan 0.000 0.488 43 D N 4.639 125.056 120.400 0.028 0.000 2.202 43 D HA 0.020 4.660 4.640 -0.000 0.000 0.214 43 D C 0.319 176.576 176.300 -0.072 0.000 0.967 43 D CA 1.168 55.212 54.000 0.073 0.000 0.871 43 D CB 0.387 41.361 40.800 0.290 0.000 1.020 43 D HN 0.750 nan 8.370 nan 0.000 0.474 44 N N -1.490 117.024 118.700 -0.309 0.000 3.322 44 N HA 0.263 5.003 4.740 -0.000 0.000 0.233 44 N C -1.916 173.297 175.510 -0.495 0.000 1.399 44 N CA -0.695 52.194 53.050 -0.267 0.000 0.894 44 N CB 0.421 38.764 38.487 -0.239 0.000 1.440 44 N HN -0.194 nan 8.380 nan 0.000 0.503 45 F N -0.283 119.593 119.950 -0.123 0.000 2.495 45 F HA 0.799 5.326 4.527 -0.000 0.000 0.327 45 F C 0.664 176.460 175.800 -0.007 0.000 1.103 45 F CA -0.572 57.397 58.000 -0.052 0.000 0.949 45 F CB 2.315 41.343 39.000 0.047 0.000 1.142 45 F HN 0.604 nan 8.300 nan 0.000 0.457 46 S N 1.228 117.018 115.700 0.150 0.000 2.697 46 S HA 0.956 5.426 4.470 -0.000 0.000 0.289 46 S C -1.144 173.584 174.600 0.213 0.000 1.149 46 S CA -0.297 57.977 58.200 0.125 0.000 0.850 46 S CB 1.692 64.843 63.200 -0.083 0.000 1.151 46 S HN 0.915 nan 8.310 nan 0.000 0.491 47 A N 0.819 123.758 122.820 0.200 0.000 2.533 47 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 47 A C -0.946 176.410 177.584 -0.380 0.000 1.228 47 A CA -0.565 51.517 52.037 0.074 0.000 0.689 47 A CB 1.222 20.346 19.000 0.206 0.000 1.303 47 A HN 0.776 nan 8.150 nan 0.000 0.444 48 S N -0.755 114.612 115.700 -0.554 0.000 2.503 48 S HA 0.462 4.932 4.470 -0.000 0.000 0.301 48 S C 0.031 174.035 174.600 -0.994 0.000 1.087 48 S CA 0.101 57.822 58.200 -0.800 0.000 1.042 48 S CB 1.204 64.057 63.200 -0.578 0.000 1.043 48 S HN 0.768 nan 8.310 nan 0.000 0.489 49 D N 3.122 122.917 120.400 -1.008 0.000 2.363 49 D HA 0.127 4.767 4.640 -0.000 0.000 0.226 49 D C 0.789 176.831 176.300 -0.430 0.000 1.020 49 D CA 0.089 53.773 54.000 -0.526 0.000 0.892 49 D CB -0.435 40.257 40.800 -0.181 0.000 0.900 49 D HN 0.549 nan 8.370 nan 0.000 0.531 50 A N -0.076 122.394 122.820 -0.583 0.000 2.561 50 A HA 0.203 4.523 4.320 -0.000 0.000 0.234 50 A C 0.583 177.901 177.584 -0.442 0.000 1.055 50 A CA 0.394 52.063 52.037 -0.613 0.000 0.756 50 A CB -0.284 18.121 19.000 -0.992 0.000 0.986 50 A HN 0.337 nan 8.150 nan 0.000 0.505 51 W N 0.337 121.576 121.300 -0.100 0.000 0.644 51 W HA -0.335 4.325 4.660 -0.000 0.000 0.217 51 W C 1.745 178.389 176.519 0.208 0.000 0.935 51 W CA 1.944 59.320 57.345 0.052 0.000 0.519 51 W CB -1.639 27.838 29.460 0.029 0.000 1.885 51 W HN 0.820 nan 8.180 nan 0.000 0.774 52 R N -0.768 119.907 120.500 0.292 0.000 2.189 52 R HA 0.162 4.502 4.340 -0.000 0.000 0.203 52 R C 1.895 178.321 176.300 0.209 0.000 1.012 52 R CA 1.142 57.446 56.100 0.340 0.000 1.015 52 R CB -0.536 29.759 30.300 -0.008 0.000 0.938 52 R HN 0.205 nan 8.270 nan 0.000 0.472 53 C N 0.408 119.684 119.300 -0.039 0.000 2.448 53 C HA 0.095 4.555 4.460 -0.000 0.000 0.280 53 C C 2.728 177.722 174.990 0.007 0.000 1.398 53 C CA 0.513 59.401 59.018 -0.216 0.000 1.774 53 C CB -0.619 26.797 27.740 -0.540 0.000 1.888 53 C HN 0.547 nan 8.230 nan 0.000 0.519 54 A N 0.526 123.344 122.820 -0.003 0.000 1.883 54 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 54 A C 1.767 179.243 177.584 -0.180 0.000 1.186 54 A CA 1.720 53.675 52.037 -0.135 0.000 0.624 54 A CB -0.750 18.039 19.000 -0.351 0.000 0.822 54 A HN 0.512 nan 8.150 nan 0.000 0.444 55 F N -0.254 119.707 119.950 0.018 0.000 2.128 55 F HA -0.036 4.491 4.527 -0.000 0.000 0.295 55 F C 2.177 177.975 175.800 -0.004 0.000 1.100 55 F CA 1.293 59.288 58.000 -0.009 0.000 1.260 55 F CB -0.523 38.450 39.000 -0.044 0.000 1.009 55 F HN 0.089 nan 8.300 nan 0.000 0.476 56 I N 0.016 120.592 120.570 0.010 0.000 2.179 56 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 56 I C 2.760 178.866 176.117 -0.019 0.000 1.088 56 I CA 1.669 62.755 61.300 -0.357 0.000 1.357 56 I CB -1.201 36.461 38.000 -0.563 0.000 1.051 56 I HN 0.206 nan 8.210 nan 0.000 0.409 57 G N 0.181 109.108 108.800 0.212 0.000 2.448 57 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 57 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 57 G C 1.744 176.568 174.900 -0.126 0.000 1.127 57 G CA 0.758 45.907 45.100 0.082 0.000 0.766 57 G HN 0.318 nan 8.290 nan 0.000 0.552 58 K N -0.637 119.761 120.400 -0.003 0.000 2.262 58 K HA 0.091 4.411 4.320 -0.000 0.000 0.200 58 K C 1.777 178.403 176.600 0.043 0.000 1.058 58 K CA 0.394 56.681 56.287 0.001 0.000 0.974 58 K CB 0.189 32.686 32.500 -0.005 0.000 0.910 58 K HN 0.090 nan 8.250 nan 0.000 0.484 59 N N -0.652 118.139 118.700 0.152 0.000 2.454 59 N HA 0.002 4.742 4.740 -0.000 0.000 0.177 59 N C -0.357 175.335 175.510 0.303 0.000 1.049 59 N CA 0.267 53.472 53.050 0.259 0.000 0.887 59 N CB 0.146 38.870 38.487 0.395 0.000 1.095 59 N HN 0.045 nan 8.380 nan 0.000 0.446 60 W N 2.571 123.871 121.300 0.000 0.000 2.202 60 W HA 0.310 4.970 4.660 -0.000 0.000 0.332 60 W C -1.847 174.630 176.519 -0.070 0.000 1.263 60 W CA -1.706 55.635 57.345 -0.008 0.000 1.223 60 W CB -0.448 29.012 29.460 -0.000 0.000 1.128 60 W HN -0.087 nan 8.180 nan 0.000 0.573 61 P HA -0.144 nan 4.420 nan 0.000 0.265 61 P C 0.691 178.009 177.300 0.030 0.000 1.187 61 P CA 0.298 63.417 63.100 0.030 0.000 0.766 61 P CB 0.664 32.359 31.700 -0.008 0.000 0.820 62 Q N 2.897 122.696 119.800 -0.003 0.000 2.096 62 Q HA -0.280 4.060 4.340 -0.000 0.000 0.208 62 Q C 1.624 177.648 176.000 0.039 0.000 0.993 62 Q CA 2.083 57.882 55.803 -0.007 0.000 0.862 62 Q CB -0.470 28.287 28.738 0.030 0.000 0.915 62 Q HN 0.502 nan 8.270 nan 0.000 0.416 63 E N -0.469 119.764 120.200 0.055 0.000 2.077 63 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 63 E C 1.954 178.614 176.600 0.100 0.000 0.989 63 E CA 1.255 57.699 56.400 0.074 0.000 0.800 63 E CB -0.005 29.730 29.700 0.058 0.000 0.746 63 E HN 0.392 nan 8.360 nan 0.000 0.452 64 K N 0.956 121.431 120.400 0.124 0.000 2.001 64 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 64 K C 2.149 178.870 176.600 0.203 0.000 1.048 64 K CA 0.792 57.206 56.287 0.212 0.000 0.932 64 K CB -0.201 32.498 32.500 0.331 0.000 0.715 64 K HN -0.034 nan 8.250 nan 0.000 0.437 65 K N 1.264 121.731 120.400 0.112 0.000 2.049 65 K HA -0.217 4.103 4.320 -0.000 0.000 0.219 65 K C 2.113 178.781 176.600 0.114 0.000 1.056 65 K CA 1.948 58.159 56.287 -0.128 0.000 0.946 65 K CB -0.057 32.081 32.500 -0.603 0.000 0.723 65 K HN 0.189 nan 8.250 nan 0.000 0.453 66 E N 0.540 120.855 120.200 0.193 0.000 2.110 66 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 66 E C 1.989 178.683 176.600 0.157 0.000 0.988 66 E CA 1.049 57.597 56.400 0.247 0.000 0.804 66 E CB -0.082 29.730 29.700 0.185 0.000 0.745 66 E HN 0.156 nan 8.360 nan 0.000 0.458 67 K N 1.583 122.061 120.400 0.131 0.000 2.026 67 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 67 K C 2.032 178.682 176.600 0.084 0.000 1.048 67 K CA 0.997 57.348 56.287 0.106 0.000 0.929 67 K CB -0.425 32.144 32.500 0.114 0.000 0.713 67 K HN 0.060 nan 8.250 nan 0.000 0.439 68 I N 0.519 121.151 120.570 0.103 0.000 2.286 68 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 68 I C 2.286 178.421 176.117 0.031 0.000 1.115 68 I CA 1.186 62.530 61.300 0.072 0.000 1.392 68 I CB -0.406 37.678 38.000 0.141 0.000 1.065 68 I HN 0.262 nan 8.210 nan 0.000 0.418 69 A N 0.596 123.478 122.820 0.103 0.000 1.902 69 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 69 A C 1.959 179.566 177.584 0.039 0.000 1.181 69 A CA 2.022 54.120 52.037 0.102 0.000 0.623 69 A CB -0.590 18.484 19.000 0.124 0.000 0.818 69 A HN 0.326 nan 8.150 nan 0.000 0.443 70 D N 0.259 120.685 120.400 0.043 0.000 2.092 70 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 70 D C 1.884 178.162 176.300 -0.036 0.000 0.994 70 D CA 1.261 55.277 54.000 0.027 0.000 0.828 70 D CB -0.483 40.346 40.800 0.050 0.000 0.963 70 D HN 0.446 nan 8.370 nan 0.000 0.450 71 L N 0.095 121.274 121.223 -0.074 0.000 2.191 71 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 71 L C 2.370 179.076 176.870 -0.274 0.000 1.103 71 L CA 0.578 55.326 54.840 -0.153 0.000 0.769 71 L CB -0.188 41.776 42.059 -0.160 0.000 0.908 71 L HN 0.062 nan 8.230 nan 0.000 0.438 72 L N -2.440 118.531 121.223 -0.420 0.000 2.249 72 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 72 L C 1.600 178.040 176.870 -0.718 0.000 1.090 72 L CA 0.751 55.134 54.840 -0.763 0.000 0.802 72 L CB -0.022 41.178 42.059 -1.432 0.000 0.947 72 L HN 0.159 nan 8.230 nan 0.000 0.453 73 F N -1.532 118.358 119.950 -0.100 0.000 2.815 73 F HA 0.245 4.772 4.527 -0.000 0.000 0.328 73 F C 1.004 176.729 175.800 -0.125 0.000 0.982 73 F CA -0.814 57.114 58.000 -0.121 0.000 1.154 73 F CB 0.182 39.089 39.000 -0.155 0.000 0.980 73 F HN -0.284 nan 8.300 nan 0.000 0.603 74 K N 2.456 122.895 120.400 0.064 0.000 2.349 74 K HA 0.139 4.459 4.320 -0.000 0.000 0.288 74 K C 0.297 176.863 176.600 -0.056 0.000 1.058 74 K CA -0.247 56.044 56.287 0.008 0.000 0.953 74 K CB 0.481 32.998 32.500 0.029 0.000 0.997 74 K HN -0.159 nan 8.250 nan 0.000 0.477 75 R N 4.870 125.264 120.500 -0.176 0.000 3.171 75 R HA 0.130 4.470 4.340 -0.000 0.000 0.241 75 R C -0.925 175.221 176.300 -0.256 0.000 1.421 75 R CA 0.086 55.912 56.100 -0.457 0.000 1.444 75 R CB 0.102 30.051 30.300 -0.585 0.000 1.247 75 R HN 0.718 nan 8.270 nan 0.000 0.636 76 E N 1.775 121.943 120.200 -0.053 0.000 2.369 76 E HA 0.345 4.695 4.350 -0.000 0.000 0.270 76 E C -0.953 175.602 176.600 -0.074 0.000 0.909 76 E CA -0.831 55.568 56.400 -0.002 0.000 0.775 76 E CB 1.944 31.677 29.700 0.054 0.000 1.270 76 E HN 0.114 nan 8.360 nan 0.000 0.445 77 F N 1.168 121.210 119.950 0.153 0.000 2.492 77 F HA 0.170 4.697 4.527 -0.000 0.000 0.327 77 F C 0.971 176.802 175.800 0.053 0.000 1.079 77 F CA -0.860 57.184 58.000 0.074 0.000 0.967 77 F CB 0.998 40.029 39.000 0.053 0.000 1.169 77 F HN 0.342 nan 8.300 nan 0.000 0.472 78 D N 1.199 121.731 120.400 0.219 0.000 2.398 78 D HA 0.212 4.852 4.640 -0.000 0.000 0.264 78 D C 1.259 177.635 176.300 0.126 0.000 1.263 78 D CA 0.281 54.366 54.000 0.142 0.000 1.037 78 D CB -0.172 40.688 40.800 0.099 0.000 1.101 78 D HN 0.639 nan 8.370 nan 0.000 0.551 79 E N -0.167 120.086 120.200 0.088 0.000 2.097 79 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 79 E C 1.549 178.188 176.600 0.065 0.000 1.000 79 E CA 2.070 58.511 56.400 0.068 0.000 0.804 79 E CB -0.980 28.751 29.700 0.053 0.000 0.740 79 E HN 0.687 nan 8.360 nan 0.000 0.454 80 K N -1.088 119.358 120.400 0.077 0.000 2.577 80 K HA 0.419 4.739 4.320 -0.000 0.000 0.210 80 K C 1.147 177.823 176.600 0.127 0.000 1.048 80 K CA 0.146 56.489 56.287 0.093 0.000 1.188 80 K CB 0.185 32.738 32.500 0.088 0.000 0.910 80 K HN 0.540 nan 8.250 nan 0.000 0.483 81 G N 1.898 110.744 108.800 0.077 0.000 2.160 81 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 81 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 81 G C -0.629 174.398 174.900 0.211 0.000 1.008 81 G CA -0.344 44.745 45.100 -0.019 0.000 0.724 81 G HN 0.469 nan 8.290 nan 0.000 0.514 82 N N 1.480 120.331 118.700 0.252 0.000 2.458 82 N HA 0.383 5.123 4.740 -0.000 0.000 0.270 82 N C -2.684 172.910 175.510 0.140 0.000 1.102 82 N CA -1.144 52.044 53.050 0.230 0.000 0.967 82 N CB 1.302 39.841 38.487 0.086 0.000 1.078 82 N HN 0.103 nan 8.380 nan 0.000 0.471 83 P HA 0.066 nan 4.420 nan 0.000 0.268 83 P C 1.097 178.228 177.300 -0.281 0.000 1.205 83 P CA -0.123 62.531 63.100 -0.743 0.000 0.771 83 P CB 0.547 31.165 31.700 -1.803 0.000 0.858 84 I N -0.048 120.450 120.570 -0.121 0.000 3.059 84 I HA 0.321 4.491 4.170 -0.000 0.000 0.270 84 I C 0.815 177.051 176.117 0.199 0.000 1.238 84 I CA 0.544 61.904 61.300 0.100 0.000 1.478 84 I CB -0.167 37.888 38.000 0.092 0.000 1.097 84 I HN 0.384 nan 8.210 nan 0.000 0.455 85 G N 0.551 109.426 108.800 0.126 0.000 2.450 85 G HA2 0.258 4.218 3.960 -0.000 0.000 0.273 85 G HA3 0.258 4.218 3.960 -0.000 0.000 0.273 85 G C -0.120 174.773 174.900 -0.011 0.000 1.221 85 G CA -0.377 44.687 45.100 -0.061 0.000 0.900 85 G HN 0.011 nan 8.290 nan 0.000 0.483 86 M N 0.649 120.177 119.600 -0.120 0.000 2.447 86 M HA 0.305 4.785 4.480 -0.000 0.000 0.264 86 M C 1.750 178.045 176.300 -0.008 0.000 1.095 86 M CA 1.182 56.446 55.300 -0.059 0.000 1.125 86 M CB 0.004 32.535 32.600 -0.115 0.000 1.389 86 M HN 1.437 nan 8.290 nan 0.000 0.459 87 A N 1.977 124.775 122.820 -0.036 0.000 2.511 87 A HA -0.181 4.139 4.320 -0.000 0.000 0.297 87 A C 0.134 177.679 177.584 -0.064 0.000 1.476 87 A CA 0.269 52.228 52.037 -0.130 0.000 0.757 87 A CB -2.518 16.198 19.000 -0.473 0.000 1.072 87 A HN 0.509 nan 8.150 nan 0.000 0.413 88 L N -0.591 120.649 121.223 0.027 0.000 2.529 88 L HA 0.125 4.465 4.340 -0.000 0.000 0.287 88 L C 1.790 178.763 176.870 0.172 0.000 1.241 88 L CA 0.919 55.846 54.840 0.145 0.000 0.857 88 L CB 0.375 42.561 42.059 0.212 0.000 1.113 88 L HN 0.777 nan 8.230 nan 0.000 0.504 89 T N -2.494 112.150 114.554 0.149 0.000 3.040 89 T HA 0.167 4.517 4.350 -0.000 0.000 0.266 89 T C 0.217 174.942 174.700 0.042 0.000 1.005 89 T CA -0.417 61.727 62.100 0.074 0.000 0.906 89 T CB -0.012 68.892 68.868 0.061 0.000 1.082 89 T HN 0.562 nan 8.240 nan 0.000 0.531 90 N N -0.160 118.589 118.700 0.083 0.000 2.469 90 N HA 0.550 5.290 4.740 -0.000 0.000 0.286 90 N C -2.157 173.512 175.510 0.266 0.000 1.275 90 N CA -0.915 52.171 53.050 0.061 0.000 0.790 90 N CB 1.901 40.360 38.487 -0.047 0.000 1.446 90 N HN 0.363 nan 8.380 nan 0.000 0.501 91 W N 2.413 123.703 121.300 -0.018 0.000 3.259 91 W HA 0.440 5.100 4.660 -0.000 0.000 0.331 91 W C -1.411 175.260 176.519 0.253 0.000 1.144 91 W CA -0.537 56.902 57.345 0.156 0.000 1.227 91 W CB 1.416 31.010 29.460 0.223 0.000 1.371 91 W HN 0.466 nan 8.180 nan 0.000 0.491 92 R N 3.993 124.307 120.500 -0.309 0.000 2.229 92 R HA 0.438 4.778 4.340 -0.000 0.000 0.332 92 R C -0.707 175.477 176.300 -0.193 0.000 0.989 92 R CA -0.630 55.408 56.100 -0.103 0.000 0.842 92 R CB 2.085 32.276 30.300 -0.182 0.000 1.119 92 R HN 0.158 nan 8.270 nan 0.000 0.456 93 V N 3.776 123.754 119.914 0.107 0.000 2.347 93 V HA 0.120 4.240 4.120 -0.000 0.000 0.280 93 V C 0.390 176.217 176.094 -0.445 0.000 1.021 93 V CA -0.812 61.412 62.300 -0.128 0.000 0.847 93 V CB 1.200 32.963 31.823 -0.100 0.000 0.990 93 V HN 0.753 nan 8.190 nan 0.000 0.444 94 N N 5.330 123.592 118.700 -0.729 0.000 2.416 94 N HA 0.083 4.823 4.740 -0.000 0.000 0.271 94 N C -0.384 174.703 175.510 -0.706 0.000 1.245 94 N CA -0.704 51.632 53.050 -1.190 0.000 0.940 94 N CB 0.362 38.322 38.487 -0.879 0.000 1.175 94 N HN 0.454 nan 8.380 nan 0.000 0.483 95 I N 3.208 123.390 120.570 -0.647 0.000 2.436 95 I HA 0.073 4.243 4.170 -0.000 0.000 0.289 95 I C 1.614 177.562 176.117 -0.282 0.000 1.083 95 I CA -0.070 60.971 61.300 -0.431 0.000 1.372 95 I CB -0.136 37.710 38.000 -0.257 0.000 1.408 95 I HN 0.473 nan 8.210 nan 0.000 0.516 96 G N 4.583 113.191 108.800 -0.321 0.000 2.614 96 G HA2 0.330 4.290 3.960 -0.000 0.000 0.239 96 G HA3 0.330 4.290 3.960 -0.000 0.000 0.239 96 G C 0.476 175.300 174.900 -0.126 0.000 1.240 96 G CA 0.166 45.133 45.100 -0.221 0.000 0.842 96 G HN 0.808 nan 8.290 nan 0.000 0.584 97 A N -0.559 122.193 122.820 -0.113 0.000 2.508 97 A HA 0.562 4.882 4.320 -0.000 0.000 0.250 97 A C 1.578 179.135 177.584 -0.045 0.000 1.208 97 A CA 1.022 52.968 52.037 -0.152 0.000 0.960 97 A CB 0.047 18.951 19.000 -0.161 0.000 1.099 97 A HN 2.393 nan 8.150 nan 0.000 0.542 98 G N 0.320 109.141 108.800 0.035 0.000 2.131 98 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 98 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 98 G C 1.022 175.939 174.900 0.028 0.000 0.990 98 G CA 0.998 46.212 45.100 0.189 0.000 0.671 98 G HN 1.200 nan 8.290 nan 0.000 0.521 99 S N -1.149 114.543 115.700 -0.013 0.000 2.419 99 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 99 S C 1.847 176.397 174.600 -0.082 0.000 1.016 99 S CA 1.605 59.755 58.200 -0.083 0.000 0.974 99 S CB -0.316 62.859 63.200 -0.042 0.000 0.786 99 S HN 0.870 nan 8.310 nan 0.000 0.492 100 Y N 2.762 122.996 120.300 -0.110 0.000 2.070 100 Y HA -0.114 4.436 4.550 -0.000 0.000 0.279 100 Y C 2.273 178.101 175.900 -0.121 0.000 1.134 100 Y CA 2.070 60.113 58.100 -0.096 0.000 1.113 100 Y CB -0.741 37.675 38.460 -0.073 0.000 0.981 100 Y HN 0.180 nan 8.280 nan 0.000 0.487 101 E N -0.032 120.106 120.200 -0.104 0.000 2.160 101 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 101 E C 1.519 177.888 176.600 -0.385 0.000 0.991 101 E CA 1.496 57.782 56.400 -0.191 0.000 0.810 101 E CB -0.365 29.369 29.700 0.056 0.000 0.742 101 E HN 0.353 nan 8.360 nan 0.000 0.466 102 N N 0.425 118.773 118.700 -0.588 0.000 2.314 102 N HA -0.024 4.716 4.740 -0.000 0.000 0.200 102 N C 0.973 176.233 175.510 -0.416 0.000 1.135 102 N CA -0.020 52.585 53.050 -0.742 0.000 0.835 102 N CB 0.040 37.721 38.487 -1.343 0.000 0.989 102 N HN 0.177 nan 8.380 nan 0.000 0.478 103 R N -0.128 120.165 120.500 -0.345 0.000 2.237 103 R HA -0.009 4.331 4.340 -0.000 0.000 0.219 103 R C 0.691 176.878 176.300 -0.188 0.000 1.080 103 R CA 1.145 57.094 56.100 -0.252 0.000 0.995 103 R CB -0.240 29.898 30.300 -0.270 0.000 0.875 103 R HN 0.297 nan 8.270 nan 0.000 0.462 104 E N 0.917 121.005 120.200 -0.187 0.000 2.427 104 E HA 0.053 4.403 4.350 -0.000 0.000 0.196 104 E C 0.745 177.281 176.600 -0.108 0.000 1.028 104 E CA 0.362 56.684 56.400 -0.130 0.000 0.864 104 E CB 0.274 29.904 29.700 -0.116 0.000 0.813 104 E HN 0.499 nan 8.360 nan 0.000 0.514 105 A N 1.610 124.352 122.820 -0.130 0.000 2.336 105 A HA 0.177 4.497 4.320 -0.000 0.000 0.278 105 A C 0.135 177.673 177.584 -0.076 0.000 1.371 105 A CA -0.298 51.681 52.037 -0.096 0.000 0.842 105 A CB 0.306 19.239 19.000 -0.112 0.000 1.363 105 A HN -0.049 nan 8.150 nan 0.000 0.517 106 K N 1.111 121.480 120.400 -0.052 0.000 2.142 106 K HA 0.246 4.566 4.320 -0.000 0.000 0.250 106 K C -0.587 175.994 176.600 -0.032 0.000 1.148 106 K CA 0.065 56.334 56.287 -0.030 0.000 1.040 106 K CB 0.195 32.689 32.500 -0.010 0.000 1.569 106 K HN 0.470 nan 8.250 nan 0.000 0.361 107 E N 0.703 120.875 120.200 -0.047 0.000 2.412 107 E HA 0.266 4.616 4.350 -0.000 0.000 0.255 107 E C -0.267 176.312 176.600 -0.034 0.000 0.933 107 E CA -1.073 55.293 56.400 -0.057 0.000 0.823 107 E CB 1.585 31.218 29.700 -0.111 0.000 1.352 107 E HN 0.016 nan 8.360 nan 0.000 0.406 108 V N 2.678 122.567 119.914 -0.042 0.000 2.726 108 V HA -0.168 3.952 4.120 -0.000 0.000 0.304 108 V C 0.976 177.040 176.094 -0.050 0.000 1.115 108 V CA 1.134 63.404 62.300 -0.050 0.000 1.264 108 V CB -0.281 31.492 31.823 -0.082 0.000 0.867 108 V HN 0.638 nan 8.190 nan 0.000 0.498 109 D N 2.174 122.554 120.400 -0.033 0.000 2.340 109 D HA 0.078 4.718 4.640 -0.000 0.000 0.217 109 D C 0.180 176.476 176.300 -0.007 0.000 1.081 109 D CA -0.179 53.818 54.000 -0.004 0.000 0.842 109 D CB -0.241 40.583 40.800 0.040 0.000 0.934 109 D HN 0.800 nan 8.370 nan 0.000 0.511 110 N N -1.779 116.891 118.700 -0.051 0.000 2.329 110 N HA 0.212 4.952 4.740 -0.000 0.000 0.282 110 N C 0.474 175.957 175.510 -0.044 0.000 1.198 110 N CA -0.432 52.595 53.050 -0.038 0.000 0.790 110 N CB 1.729 40.193 38.487 -0.039 0.000 1.579 110 N HN -0.175 nan 8.380 nan 0.000 0.475 111 S N -0.169 115.514 115.700 -0.029 0.000 2.399 111 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 111 S C 0.951 175.584 174.600 0.056 0.000 1.022 111 S CA 0.401 58.597 58.200 -0.006 0.000 0.983 111 S CB -0.757 62.391 63.200 -0.088 0.000 0.803 111 S HN 0.729 nan 8.310 nan 0.000 0.480 112 W N 2.302 123.521 121.300 -0.136 0.000 2.381 112 W HA 0.104 4.764 4.660 -0.000 0.000 0.301 112 W C 1.799 178.260 176.519 -0.097 0.000 1.205 112 W CA 0.542 57.795 57.345 -0.153 0.000 1.285 112 W CB -0.191 29.094 29.460 -0.291 0.000 1.133 112 W HN 0.316 nan 8.180 nan 0.000 0.521 113 N N -0.143 118.448 118.700 -0.182 0.000 2.336 113 N HA 0.076 4.816 4.740 -0.000 0.000 0.189 113 N C -0.064 175.351 175.510 -0.158 0.000 1.113 113 N CA 0.266 52.972 53.050 -0.574 0.000 0.858 113 N CB -0.107 37.617 38.487 -1.272 0.000 0.970 113 N HN 0.036 nan 8.380 nan 0.000 0.471 114 R N 0.307 120.805 120.500 -0.003 0.000 2.582 114 R HA 0.322 4.662 4.340 -0.000 0.000 0.271 114 R C 0.465 176.812 176.300 0.078 0.000 1.078 114 R CA 0.087 56.222 56.100 0.057 0.000 1.127 114 R CB 0.637 31.016 30.300 0.131 0.000 1.038 114 R HN 0.084 nan 8.270 nan 0.000 0.500 115 T N -1.741 112.845 114.554 0.054 0.000 2.906 115 T HA 0.360 4.710 4.350 -0.000 0.000 0.295 115 T C -0.285 174.413 174.700 -0.004 0.000 1.061 115 T CA -1.116 60.976 62.100 -0.013 0.000 1.000 115 T CB 1.886 70.726 68.868 -0.047 0.000 1.103 115 T HN 0.441 nan 8.240 nan 0.000 0.486 116 E N -0.222 119.920 120.200 -0.098 0.000 2.314 116 E HA 0.509 4.859 4.350 -0.000 0.000 0.262 116 E C -0.798 175.720 176.600 -0.138 0.000 1.093 116 E CA -0.829 55.532 56.400 -0.065 0.000 0.908 116 E CB 1.402 31.022 29.700 -0.134 0.000 1.091 116 E HN 0.703 nan 8.360 nan 0.000 0.425 117 C N 2.127 121.383 119.300 -0.073 0.000 2.482 117 C HA 0.333 4.793 4.460 -0.000 0.000 0.317 117 C C 0.880 175.851 174.990 -0.031 0.000 1.197 117 C CA -0.641 58.314 59.018 -0.106 0.000 1.432 117 C CB -0.533 27.188 27.740 -0.032 0.000 2.062 117 C HN 0.775 nan 8.230 nan 0.000 0.471 118 F N 2.929 122.948 119.950 0.115 0.000 2.216 118 F HA 0.097 4.624 4.527 -0.000 0.000 0.300 118 F C 0.987 176.665 175.800 -0.203 0.000 1.085 118 F CA 0.821 58.788 58.000 -0.055 0.000 1.326 118 F CB -0.454 38.482 39.000 -0.107 0.000 1.027 118 F HN 0.412 nan 8.300 nan 0.000 0.497 119 L N 0.065 121.288 121.223 0.001 0.000 2.307 119 L HA 0.430 4.770 4.340 -0.000 0.000 0.282 119 L C 0.232 177.005 176.870 -0.162 0.000 1.051 119 L CA -0.549 54.097 54.840 -0.323 0.000 0.804 119 L CB 1.084 42.933 42.059 -0.350 0.000 1.197 119 L HN 0.024 nan 8.230 nan 0.000 0.431 120 S N 3.280 118.765 115.700 -0.358 0.000 2.664 120 S HA 0.642 5.112 4.470 -0.000 0.000 0.304 120 S C -2.190 171.767 174.600 -1.072 0.000 1.099 120 S CA -1.332 56.568 58.200 -0.500 0.000 1.003 120 S CB 1.319 64.353 63.200 -0.276 0.000 1.092 120 S HN 0.547 nan 8.310 nan 0.000 0.525 121 P HA -0.070 nan 4.420 nan 0.000 0.223 121 P C 0.513 177.417 177.300 -0.660 0.000 1.144 121 P CA 1.145 63.417 63.100 -1.379 0.000 0.783 121 P CB -0.165 31.083 31.700 -0.753 0.000 0.771 122 D N -2.035 118.095 120.400 -0.450 0.000 2.339 122 D HA 0.110 4.750 4.640 -0.000 0.000 0.217 122 D C 1.341 177.513 176.300 -0.213 0.000 1.050 122 D CA 0.360 54.205 54.000 -0.258 0.000 0.856 122 D CB -0.824 39.871 40.800 -0.174 0.000 0.922 122 D HN 0.181 nan 8.370 nan 0.000 0.518 123 G N 0.162 108.789 108.800 -0.288 0.000 2.157 123 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.239 123 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.239 123 G C 0.018 174.845 174.900 -0.123 0.000 0.982 123 G CA -0.133 44.861 45.100 -0.178 0.000 0.650 123 G HN 0.296 nan 8.290 nan 0.000 0.527 124 K N -0.077 120.224 120.400 -0.165 0.000 2.118 124 K HA 0.609 4.929 4.320 -0.000 0.000 0.267 124 K C -0.412 176.070 176.600 -0.196 0.000 0.991 124 K CA -0.745 55.494 56.287 -0.080 0.000 0.916 124 K CB 0.858 33.323 32.500 -0.058 0.000 1.041 124 K HN 0.211 nan 8.250 nan 0.000 0.455 125 Y N 0.385 120.634 120.300 -0.086 0.000 2.342 125 Y HA 0.171 4.721 4.550 -0.000 0.000 0.334 125 Y C 0.248 176.008 175.900 -0.233 0.000 1.067 125 Y CA -0.294 57.670 58.100 -0.227 0.000 1.128 125 Y CB 1.416 39.673 38.460 -0.338 0.000 1.200 125 Y HN 0.459 nan 8.280 nan 0.000 0.464 126 D N 2.973 123.289 120.400 -0.139 0.000 2.375 126 D HA 0.178 4.818 4.640 -0.000 0.000 0.259 126 D C -0.684 175.577 176.300 -0.066 0.000 1.235 126 D CA -0.416 53.553 54.000 -0.052 0.000 0.924 126 D CB 0.049 40.866 40.800 0.029 0.000 1.143 126 D HN 0.335 nan 8.370 nan 0.000 0.529 127 F N 1.051 120.953 119.950 -0.080 0.000 2.816 127 F HA 0.023 4.550 4.527 -0.000 0.000 0.302 127 F C 2.504 178.269 175.800 -0.058 0.000 1.178 127 F CA 0.624 58.398 58.000 -0.378 0.000 1.421 127 F CB -0.109 38.295 39.000 -0.994 0.000 1.114 127 F HN 0.342 nan 8.300 nan 0.000 0.573 128 T N -3.033 111.636 114.554 0.192 0.000 3.148 128 T HA 0.049 4.399 4.350 -0.000 0.000 0.253 128 T C 0.866 175.706 174.700 0.232 0.000 1.134 128 T CA 0.020 62.235 62.100 0.191 0.000 1.051 128 T CB -0.219 68.727 68.868 0.130 0.000 0.959 128 T HN 0.059 nan 8.240 nan 0.000 0.525 129 K N 1.180 121.776 120.400 0.326 0.000 2.120 129 K HA 0.262 4.582 4.320 -0.000 0.000 0.245 129 K C 0.137 176.953 176.600 0.361 0.000 1.024 129 K CA -0.508 55.946 56.287 0.278 0.000 0.906 129 K CB 0.236 32.870 32.500 0.223 0.000 1.051 129 K HN 0.235 nan 8.250 nan 0.000 0.491 130 Q N -0.868 118.986 119.800 0.089 0.000 2.460 130 Q HA -0.269 4.071 4.340 -0.000 0.000 0.311 130 Q C 0.392 176.475 176.000 0.138 0.000 1.396 130 Q CA 0.398 56.221 55.803 0.033 0.000 0.838 130 Q CB -1.855 26.858 28.738 -0.041 0.000 1.140 130 Q HN 0.806 nan 8.270 nan 0.000 0.415 131 A N 0.159 123.039 122.820 0.099 0.000 1.873 131 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 131 A C 2.080 179.773 177.584 0.181 0.000 1.186 131 A CA 1.724 53.850 52.037 0.148 0.000 0.616 131 A CB -0.716 18.343 19.000 0.098 0.000 0.823 131 A HN 0.682 nan 8.150 nan 0.000 0.442 132 G N -0.465 108.406 108.800 0.118 0.000 2.476 132 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 132 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 132 G C 1.588 176.723 174.900 0.391 0.000 1.164 132 G CA 1.175 46.403 45.100 0.213 0.000 0.768 132 G HN 0.657 nan 8.290 nan 0.000 0.560 133 Q N -0.138 119.805 119.800 0.239 0.000 2.096 133 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 133 Q C 2.742 178.895 176.000 0.256 0.000 0.982 133 Q CA 1.596 57.547 55.803 0.247 0.000 0.850 133 Q CB -0.235 28.531 28.738 0.047 0.000 0.901 133 Q HN 0.612 nan 8.270 nan 0.000 0.422 134 Q N -0.600 119.317 119.800 0.194 0.000 2.224 134 Q HA -0.184 4.156 4.340 -0.000 0.000 0.203 134 Q C 1.644 177.743 176.000 0.165 0.000 0.970 134 Q CA 0.991 56.867 55.803 0.121 0.000 0.865 134 Q CB -0.219 28.660 28.738 0.236 0.000 0.922 134 Q HN 0.471 nan 8.270 nan 0.000 0.445 135 W N 0.617 121.984 121.300 0.111 0.000 2.355 135 W HA -0.201 4.459 4.660 -0.000 0.000 0.309 135 W C 1.442 177.955 176.519 -0.010 0.000 1.206 135 W CA 1.342 58.714 57.345 0.044 0.000 1.284 135 W CB -0.313 29.153 29.460 0.009 0.000 1.145 135 W HN 0.016 nan 8.180 nan 0.000 0.502 136 F N 0.286 120.413 119.950 0.294 0.000 2.161 136 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 136 F C 2.465 178.135 175.800 -0.216 0.000 1.089 136 F CA 2.083 60.134 58.000 0.085 0.000 1.282 136 F CB -0.757 38.411 39.000 0.280 0.000 1.010 136 F HN -0.156 nan 8.300 nan 0.000 0.485 137 M N -0.021 119.587 119.600 0.014 0.000 2.175 137 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 137 M C 2.568 178.845 176.300 -0.039 0.000 1.063 137 M CA 2.066 57.275 55.300 -0.151 0.000 1.119 137 M CB -0.659 31.500 32.600 -0.735 0.000 1.377 137 M HN 0.104 nan 8.290 nan 0.000 0.415 138 K N 0.655 120.983 120.400 -0.120 0.000 2.025 138 K HA 0.069 4.389 4.320 -0.000 0.000 0.207 138 K C 2.123 178.514 176.600 -0.349 0.000 1.049 138 K CA 1.650 57.881 56.287 -0.094 0.000 0.933 138 K CB -1.498 30.878 32.500 -0.207 0.000 0.714 138 K HN 0.468 nan 8.250 nan 0.000 0.438 139 A N 1.171 123.561 122.820 -0.717 0.000 1.883 139 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 139 A C 2.806 180.118 177.584 -0.454 0.000 1.186 139 A CA 2.405 54.001 52.037 -0.734 0.000 0.624 139 A CB -0.988 17.297 19.000 -1.190 0.000 0.822 139 A HN 0.956 nan 8.150 nan 0.000 0.444 140 A N -0.262 122.188 122.820 -0.616 0.000 1.865 140 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 140 A C 2.267 179.587 177.584 -0.439 0.000 1.191 140 A CA 2.059 53.493 52.037 -1.006 0.000 0.623 140 A CB -0.545 17.587 19.000 -1.447 0.000 0.826 140 A HN 0.577 nan 8.150 nan 0.000 0.444 141 R N -0.325 120.077 120.500 -0.164 0.000 2.081 141 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 141 R C 2.159 178.377 176.300 -0.137 0.000 1.131 141 R CA 1.744 57.800 56.100 -0.073 0.000 0.960 141 R CB -0.309 29.997 30.300 0.011 0.000 0.856 141 R HN 0.700 nan 8.270 nan 0.000 0.436 142 E N 0.179 120.282 120.200 -0.161 0.000 2.204 142 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 142 E C 0.931 177.465 176.600 -0.111 0.000 0.990 142 E CA 0.947 57.262 56.400 -0.141 0.000 0.821 142 E CB 0.194 29.794 29.700 -0.166 0.000 0.750 142 E HN 0.284 nan 8.360 nan 0.000 0.477 143 R N -1.036 119.393 120.500 -0.119 0.000 2.480 143 R HA 0.163 4.503 4.340 -0.000 0.000 0.277 143 R C 0.695 176.947 176.300 -0.081 0.000 1.008 143 R CA 0.462 56.518 56.100 -0.074 0.000 1.090 143 R CB 0.667 30.954 30.300 -0.021 0.000 1.234 143 R HN 0.232 nan 8.270 nan 0.000 0.549 144 G N 0.957 109.700 108.800 -0.096 0.000 2.179 144 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 144 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 144 G C 0.037 174.878 174.900 -0.098 0.000 1.010 144 G CA 0.079 45.129 45.100 -0.085 0.000 0.736 144 G HN 0.224 nan 8.290 nan 0.000 0.513 145 M N 1.056 120.566 119.600 -0.150 0.000 2.036 145 M HA 0.457 4.937 4.480 -0.000 0.000 0.337 145 M C -0.364 175.786 176.300 -0.249 0.000 1.012 145 M CA -1.044 54.134 55.300 -0.205 0.000 0.962 145 M CB 0.707 33.141 32.600 -0.275 0.000 1.423 145 M HN 0.092 nan 8.290 nan 0.000 0.405 146 N N 4.272 122.875 118.700 -0.162 0.000 2.813 146 N HA 0.237 4.977 4.740 -0.000 0.000 0.282 146 N C -1.698 173.773 175.510 -0.065 0.000 1.748 146 N CA -0.033 52.989 53.050 -0.047 0.000 0.860 146 N CB 0.216 38.715 38.487 0.021 0.000 1.204 146 N HN 0.578 nan 8.380 nan 0.000 0.490 147 N N 1.555 119.959 118.700 -0.493 0.000 2.581 147 N HA 0.324 5.064 4.740 -0.000 0.000 0.279 147 N C -1.925 173.343 175.510 -0.403 0.000 1.124 147 N CA -0.217 52.706 53.050 -0.213 0.000 0.833 147 N CB 0.292 38.748 38.487 -0.053 0.000 1.338 147 N HN -0.010 nan 8.380 nan 0.000 0.533 148 F N 1.698 121.777 119.950 0.216 0.000 2.522 148 F HA 0.561 5.088 4.527 -0.000 0.000 0.324 148 F C -0.121 175.832 175.800 0.256 0.000 1.077 148 F CA -0.980 57.159 58.000 0.230 0.000 0.944 148 F CB 1.829 40.930 39.000 0.169 0.000 1.175 148 F HN 0.221 nan 8.300 nan 0.000 0.468 149 L N 3.178 124.690 121.223 0.482 0.000 2.341 149 L HA 0.567 4.907 4.340 -0.000 0.000 0.278 149 L C -1.498 175.718 176.870 0.578 0.000 1.005 149 L CA -0.311 54.798 54.840 0.449 0.000 0.818 149 L CB 1.055 43.323 42.059 0.349 0.000 1.259 149 L HN 0.549 nan 8.230 nan 0.000 0.418 150 F N 5.610 125.685 119.950 0.208 0.000 2.410 150 F HA 0.410 4.937 4.527 -0.000 0.000 0.349 150 F C -0.255 175.661 175.800 0.193 0.000 1.117 150 F CA -0.960 57.113 58.000 0.122 0.000 1.104 150 F CB 1.247 40.273 39.000 0.044 0.000 1.122 150 F HN 0.442 nan 8.300 nan 0.000 0.483 151 F N 1.162 121.202 119.950 0.151 0.000 2.563 151 F HA 0.748 5.275 4.527 -0.000 0.000 0.316 151 F C -0.893 174.947 175.800 0.067 0.000 1.076 151 F CA -0.924 57.135 58.000 0.099 0.000 0.921 151 F CB 1.406 40.452 39.000 0.077 0.000 1.209 151 F HN 0.291 nan 8.300 nan 0.000 0.462 152 T N 0.097 114.730 114.554 0.133 0.000 2.863 152 T HA 0.376 4.726 4.350 -0.000 0.000 0.285 152 T C -0.224 174.566 174.700 0.150 0.000 1.009 152 T CA -0.819 61.323 62.100 0.069 0.000 0.989 152 T CB 1.599 70.636 68.868 0.282 0.000 1.004 152 T HN 0.645 nan 8.240 nan 0.000 0.455 153 N N 0.715 119.441 118.700 0.044 0.000 2.392 153 N HA 0.205 4.945 4.740 -0.000 0.000 0.177 153 N C 0.019 175.455 175.510 -0.124 0.000 1.066 153 N CA 0.163 53.196 53.050 -0.028 0.000 0.895 153 N CB 0.642 39.117 38.487 -0.020 0.000 0.988 153 N HN 0.701 nan 8.380 nan 0.000 0.457 154 S N -0.984 114.659 115.700 -0.096 0.000 2.537 154 S HA 0.675 5.145 4.470 -0.000 0.000 0.271 154 S C -1.287 173.110 174.600 -0.339 0.000 1.148 154 S CA -0.747 57.331 58.200 -0.203 0.000 0.868 154 S CB 1.098 64.179 63.200 -0.198 0.000 1.115 154 S HN 0.208 nan 8.310 nan 0.000 0.461 155 A N 3.774 126.157 122.820 -0.729 0.000 2.448 155 A HA 0.541 4.861 4.320 -0.000 0.000 0.239 155 A C -2.577 174.519 177.584 -0.814 0.000 1.080 155 A CA -0.697 50.562 52.037 -1.297 0.000 0.779 155 A CB -0.806 17.343 19.000 -1.418 0.000 1.026 155 A HN 0.603 nan 8.150 nan 0.000 0.499 156 P HA -0.004 nan 4.420 nan 0.000 0.264 156 P C 0.351 177.028 177.300 -1.038 0.000 1.183 156 P CA 0.437 62.908 63.100 -1.048 0.000 0.763 156 P CB 0.034 30.771 31.700 -1.605 0.000 0.807 157 Y N 3.162 123.078 120.300 -0.639 0.000 2.173 157 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 157 Y C 1.561 177.252 175.900 -0.348 0.000 1.192 157 Y CA 1.261 59.134 58.100 -0.379 0.000 1.176 157 Y CB -1.989 36.366 38.460 -0.176 0.000 0.969 157 Y HN 0.318 nan 8.280 nan 0.000 0.519 158 F N -1.509 118.018 119.950 -0.705 0.000 2.748 158 F HA 0.239 4.766 4.527 -0.000 0.000 0.299 158 F C 1.664 177.285 175.800 -0.299 0.000 1.154 158 F CA 0.116 57.832 58.000 -0.474 0.000 1.446 158 F CB -0.691 37.933 39.000 -0.627 0.000 1.112 158 F HN 0.046 nan 8.300 nan 0.000 0.584 159 M N 0.889 120.152 119.600 -0.561 0.000 2.441 159 M HA 0.124 4.604 4.480 -0.000 0.000 0.244 159 M C 0.682 176.808 176.300 -0.291 0.000 1.122 159 M CA 0.193 55.270 55.300 -0.371 0.000 1.041 159 M CB -0.051 32.235 32.600 -0.523 0.000 1.438 159 M HN 0.225 nan 8.290 nan 0.000 0.484 160 T N -1.875 112.515 114.554 -0.274 0.000 2.847 160 T HA 0.319 4.669 4.350 -0.000 0.000 0.279 160 T C 0.927 175.566 174.700 -0.102 0.000 0.984 160 T CA -0.620 61.359 62.100 -0.200 0.000 0.988 160 T CB 1.702 70.464 68.868 -0.177 0.000 1.040 160 T HN 0.204 nan 8.240 nan 0.000 0.528 161 R N 0.085 120.544 120.500 -0.069 0.000 2.161 161 R HA 0.051 4.391 4.340 -0.000 0.000 0.213 161 R C 2.476 178.766 176.300 -0.016 0.000 1.055 161 R CA 1.010 57.093 56.100 -0.028 0.000 0.996 161 R CB -0.062 30.233 30.300 -0.008 0.000 0.901 161 R HN 0.823 nan 8.270 nan 0.000 0.456 162 S N -0.342 115.348 115.700 -0.017 0.000 2.575 162 S HA 0.243 4.713 4.470 -0.000 0.000 0.215 162 S C 1.061 175.663 174.600 0.005 0.000 0.966 162 S CA 0.213 58.411 58.200 -0.004 0.000 0.911 162 S CB 0.929 64.132 63.200 0.004 0.000 0.780 162 S HN 0.294 nan 8.310 nan 0.000 0.514 163 A N -0.253 122.570 122.820 0.005 0.000 2.872 163 A HA -0.044 4.276 4.320 -0.000 0.000 0.273 163 A C 0.462 178.091 177.584 0.074 0.000 1.442 163 A CA 0.776 52.843 52.037 0.050 0.000 0.801 163 A CB -2.108 16.926 19.000 0.057 0.000 1.031 163 A HN 1.245 nan 8.150 nan 0.000 0.582 164 S N -2.341 113.378 115.700 0.032 0.000 2.543 164 S HA 0.601 5.071 4.470 -0.000 0.000 0.274 164 S C 0.981 175.570 174.600 -0.018 0.000 1.149 164 S CA 0.989 59.194 58.200 0.010 0.000 0.866 164 S CB 1.149 64.342 63.200 -0.011 0.000 1.111 164 S HN 1.627 nan 8.310 nan 0.000 0.457 165 T N 0.296 114.832 114.554 -0.030 0.000 3.072 165 T HA 0.108 4.458 4.350 -0.000 0.000 0.266 165 T C 0.552 175.237 174.700 -0.026 0.000 1.127 165 T CA 0.648 62.713 62.100 -0.059 0.000 1.107 165 T CB -0.333 68.498 68.868 -0.061 0.000 0.910 165 T HN 0.357 nan 8.240 nan 0.000 0.513 166 V N 3.757 123.674 119.914 0.004 0.000 2.348 166 V HA 0.397 4.517 4.120 -0.000 0.000 0.270 166 V C 0.791 176.925 176.094 0.067 0.000 1.037 166 V CA -0.866 61.467 62.300 0.055 0.000 0.872 166 V CB 0.441 32.298 31.823 0.057 0.000 1.002 166 V HN 0.684 nan 8.190 nan 0.000 0.464 167 S N 3.484 119.249 115.700 0.108 0.000 2.608 167 S HA 0.253 4.722 4.470 -0.000 0.000 0.261 167 S C 0.841 175.522 174.600 0.134 0.000 1.314 167 S CA 0.237 58.504 58.200 0.111 0.000 0.992 167 S CB 1.164 64.459 63.200 0.157 0.000 0.935 167 S HN 0.931 nan 8.310 nan 0.000 0.564 168 T N -3.168 111.422 114.554 0.060 0.000 3.209 168 T HA 0.398 4.748 4.350 -0.000 0.000 0.295 168 T C -0.691 173.882 174.700 -0.213 0.000 0.977 168 T CA 0.047 62.151 62.100 0.007 0.000 0.922 168 T CB -0.764 68.105 68.868 0.002 0.000 1.152 168 T HN 0.872 nan 8.240 nan 0.000 0.527 169 D N -0.602 119.621 120.400 -0.295 0.000 2.665 169 D HA 0.275 4.915 4.640 -0.000 0.000 0.287 169 D C -0.429 175.655 176.300 -0.361 0.000 1.266 169 D CA -0.783 52.872 54.000 -0.574 0.000 0.830 169 D CB 0.751 41.388 40.800 -0.272 0.000 1.356 169 D HN -0.041 nan 8.370 nan 0.000 0.437 170 Q N -0.677 118.915 119.800 -0.345 0.000 2.155 170 Q HA 0.187 4.527 4.340 -0.000 0.000 0.273 170 Q C -0.448 175.341 176.000 -0.351 0.000 0.857 170 Q CA -0.312 55.281 55.803 -0.350 0.000 1.116 170 Q CB 0.331 28.822 28.738 -0.413 0.000 1.209 170 Q HN 0.398 nan 8.270 nan 0.000 0.460 171 D N -0.192 120.169 120.400 -0.066 0.000 2.213 171 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 171 D C 1.094 177.550 176.300 0.260 0.000 0.961 171 D CA 0.800 54.834 54.000 0.056 0.000 0.853 171 D CB 0.262 41.084 40.800 0.037 0.000 0.967 171 D HN 0.473 nan 8.370 nan 0.000 0.496 172 C N -1.822 117.692 119.300 0.358 0.000 3.209 172 C HA 0.437 4.897 4.460 -0.000 0.000 0.353 172 C C -0.162 175.019 174.990 0.318 0.000 1.436 172 C CA -1.763 57.478 59.018 0.372 0.000 1.186 172 C CB 0.246 28.118 27.740 0.221 0.000 1.550 172 C HN 0.196 nan 8.230 nan 0.000 0.435 173 I N 2.083 122.764 120.570 0.186 0.000 2.845 173 I HA 0.039 4.209 4.170 -0.000 0.000 0.296 173 I C 0.630 176.786 176.117 0.064 0.000 1.216 173 I CA 0.606 61.969 61.300 0.105 0.000 1.438 173 I CB 0.365 38.396 38.000 0.051 0.000 1.342 173 I HN 0.788 nan 8.210 nan 0.000 0.577 174 N N 7.241 125.955 118.700 0.023 0.000 3.193 174 N HA 0.186 4.926 4.740 -0.000 0.000 0.312 174 N C -1.314 174.106 175.510 -0.150 0.000 1.261 174 N CA -0.055 52.974 53.050 -0.035 0.000 1.208 174 N CB -0.483 37.990 38.487 -0.022 0.000 1.471 174 N HN 0.450 nan 8.380 nan 0.000 0.548 175 L N 0.659 121.787 121.223 -0.159 0.000 2.543 175 L HA 0.356 4.696 4.340 -0.000 0.000 0.265 175 L C -0.766 176.017 176.870 -0.144 0.000 0.945 175 L CA -0.582 54.092 54.840 -0.278 0.000 0.869 175 L CB 1.730 43.478 42.059 -0.517 0.000 1.294 175 L HN 0.220 nan 8.230 nan 0.000 0.405 176 Q N 2.884 122.624 119.800 -0.100 0.000 2.395 176 Q HA 0.101 4.441 4.340 -0.000 0.000 0.271 176 Q C 0.408 176.489 176.000 0.135 0.000 1.026 176 Q CA -0.022 55.789 55.803 0.014 0.000 0.900 176 Q CB 0.552 29.291 28.738 0.001 0.000 1.266 176 Q HN 0.595 nan 8.270 nan 0.000 0.430 177 N N 1.727 120.548 118.700 0.201 0.000 2.289 177 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 177 N C 0.663 176.350 175.510 0.295 0.000 1.016 177 N CA 1.246 54.476 53.050 0.299 0.000 0.872 177 N CB 0.016 38.598 38.487 0.159 0.000 0.973 177 N HN 0.618 nan 8.380 nan 0.000 0.433 178 D N -0.839 119.679 120.400 0.197 0.000 2.363 178 D HA 0.010 4.650 4.640 -0.000 0.000 0.214 178 D C 0.498 176.902 176.300 0.174 0.000 1.093 178 D CA 0.190 54.289 54.000 0.165 0.000 0.837 178 D CB 0.111 40.972 40.800 0.101 0.000 0.948 178 D HN -0.020 nan 8.370 nan 0.000 0.507 179 K N -0.113 120.398 120.400 0.185 0.000 2.373 179 K HA 0.152 4.472 4.320 -0.000 0.000 0.202 179 K C 0.886 177.565 176.600 0.131 0.000 1.025 179 K CA -0.397 55.953 56.287 0.106 0.000 1.115 179 K CB -0.063 32.427 32.500 -0.017 0.000 0.858 179 K HN 0.079 nan 8.250 nan 0.000 0.525 180 F N 3.051 123.062 119.950 0.101 0.000 2.095 180 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 180 F C 2.252 178.118 175.800 0.110 0.000 1.104 180 F CA 1.879 59.953 58.000 0.123 0.000 1.232 180 F CB -0.327 38.717 39.000 0.072 0.000 0.987 180 F HN 0.192 nan 8.300 nan 0.000 0.475 181 D N -0.096 120.464 120.400 0.267 0.000 2.117 181 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 181 D C 1.298 177.700 176.300 0.170 0.000 0.982 181 D CA 1.674 55.775 54.000 0.168 0.000 0.828 181 D CB -0.986 39.890 40.800 0.127 0.000 0.967 181 D HN 0.272 nan 8.370 nan 0.000 0.464 182 D N -0.139 120.372 120.400 0.184 0.000 2.117 182 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 182 D C 1.641 178.116 176.300 0.293 0.000 0.987 182 D CA 0.815 54.934 54.000 0.199 0.000 0.829 182 D CB -0.399 40.488 40.800 0.145 0.000 0.961 182 D HN 0.124 nan 8.370 nan 0.000 0.460 183 F N 1.564 121.551 119.950 0.062 0.000 2.146 183 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 183 F C 2.154 178.057 175.800 0.171 0.000 1.096 183 F CA 0.953 58.999 58.000 0.077 0.000 1.275 183 F CB -0.811 38.145 39.000 -0.073 0.000 1.008 183 F HN -0.053 nan 8.300 nan 0.000 0.480 184 A N 0.906 123.764 122.820 0.064 0.000 1.865 184 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 184 A C 2.441 180.052 177.584 0.046 0.000 1.191 184 A CA 1.983 53.996 52.037 -0.040 0.000 0.623 184 A CB -0.819 18.177 19.000 -0.006 0.000 0.826 184 A HN 0.432 nan 8.150 nan 0.000 0.444 185 R N -2.063 118.517 120.500 0.134 0.000 2.120 185 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 185 R C 1.992 178.435 176.300 0.238 0.000 1.123 185 R CA 1.407 57.600 56.100 0.155 0.000 0.975 185 R CB -0.471 29.930 30.300 0.168 0.000 0.866 185 R HN 0.638 nan 8.270 nan 0.000 0.446 186 F N 1.554 121.637 119.950 0.221 0.000 2.102 186 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 186 F C 1.783 177.766 175.800 0.306 0.000 1.105 186 F CA 1.432 59.633 58.000 0.336 0.000 1.239 186 F CB -0.271 38.935 39.000 0.344 0.000 0.991 186 F HN -0.116 nan 8.300 nan 0.000 0.474 187 L N -0.604 120.603 121.223 -0.026 0.000 2.056 187 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 187 L C 2.396 179.244 176.870 -0.037 0.000 1.078 187 L CA 1.010 55.776 54.840 -0.122 0.000 0.749 187 L CB -0.810 41.172 42.059 -0.128 0.000 0.901 187 L HN 0.038 nan 8.230 nan 0.000 0.433 188 V N 0.159 120.064 119.914 -0.014 0.000 2.358 188 V HA -0.271 3.848 4.120 -0.000 0.000 0.246 188 V C 2.524 178.622 176.094 0.005 0.000 1.047 188 V CA 1.931 64.228 62.300 -0.005 0.000 1.035 188 V CB -0.436 31.382 31.823 -0.008 0.000 0.658 188 V HN 0.449 nan 8.190 nan 0.000 0.452 189 K N 0.101 120.512 120.400 0.017 0.000 2.097 189 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 189 K C 2.292 178.910 176.600 0.031 0.000 1.050 189 K CA 1.765 58.046 56.287 -0.010 0.000 0.938 189 K CB -0.278 32.188 32.500 -0.057 0.000 0.718 189 K HN 0.358 nan 8.250 nan 0.000 0.442 190 S N 0.478 116.238 115.700 0.101 0.000 2.359 190 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 190 S C 2.034 176.881 174.600 0.412 0.000 1.035 190 S CA 1.284 59.672 58.200 0.313 0.000 1.018 190 S CB -0.420 62.925 63.200 0.241 0.000 0.876 190 S HN 0.565 nan 8.310 nan 0.000 0.448 191 A N 0.849 123.822 122.820 0.255 0.000 1.902 191 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 191 A C 2.075 179.665 177.584 0.009 0.000 1.181 191 A CA 1.641 53.706 52.037 0.047 0.000 0.623 191 A CB -0.676 18.265 19.000 -0.098 0.000 0.818 191 A HN 0.554 nan 8.150 nan 0.000 0.443 192 Q N -1.322 118.471 119.800 -0.012 0.000 2.084 192 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 192 Q C 1.964 177.886 176.000 -0.130 0.000 0.978 192 Q CA 1.978 57.741 55.803 -0.068 0.000 0.844 192 Q CB -0.242 28.454 28.738 -0.070 0.000 0.898 192 Q HN 0.926 nan 8.270 nan 0.000 0.426 193 H N -0.894 117.982 119.070 -0.323 0.000 2.353 193 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 193 H C 1.373 176.346 175.328 -0.590 0.000 1.090 193 H CA 2.205 57.865 56.048 -0.646 0.000 1.327 193 H CB -0.210 28.715 29.762 -1.394 0.000 1.383 193 H HN 0.250 nan 8.280 nan 0.000 0.508 194 F N 0.186 119.996 119.950 -0.232 0.000 2.293 194 F HA 0.064 4.591 4.527 -0.000 0.000 0.297 194 F C 2.634 178.397 175.800 -0.062 0.000 1.089 194 F CA 0.757 58.682 58.000 -0.126 0.000 1.377 194 F CB -0.122 38.869 39.000 -0.014 0.000 1.051 194 F HN 0.043 nan 8.300 nan 0.000 0.511 195 R N 0.412 120.932 120.500 0.034 0.000 2.096 195 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 195 R C 1.788 178.040 176.300 -0.080 0.000 1.127 195 R CA 1.535 57.633 56.100 -0.003 0.000 0.968 195 R CB -0.460 29.823 30.300 -0.027 0.000 0.861 195 R HN 0.380 nan 8.270 nan 0.000 0.440 196 E N 0.329 120.428 120.200 -0.169 0.000 2.418 196 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 196 E C 1.424 177.877 176.600 -0.244 0.000 1.026 196 E CA 0.536 56.811 56.400 -0.208 0.000 0.862 196 E CB 0.231 29.780 29.700 -0.250 0.000 0.799 196 E HN 0.387 nan 8.360 nan 0.000 0.518 197 Q N -0.766 118.881 119.800 -0.255 0.000 2.360 197 Q HA 0.089 4.429 4.340 -0.000 0.000 0.202 197 Q C 0.831 176.628 176.000 -0.338 0.000 0.915 197 Q CA 0.445 56.100 55.803 -0.247 0.000 0.943 197 Q CB 1.012 29.667 28.738 -0.138 0.000 1.064 197 Q HN 0.357 nan 8.270 nan 0.000 0.511 198 G N 0.878 109.506 108.800 -0.288 0.000 2.141 198 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.231 198 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.231 198 G C -0.262 174.322 174.900 -0.527 0.000 0.984 198 G CA -0.461 44.407 45.100 -0.387 0.000 0.660 198 G HN 0.278 nan 8.290 nan 0.000 0.525 199 F N 1.255 121.092 119.950 -0.188 0.000 2.411 199 F HA 0.462 4.989 4.527 -0.000 0.000 0.355 199 F C 1.161 176.933 175.800 -0.048 0.000 1.117 199 F CA -0.646 57.265 58.000 -0.149 0.000 1.139 199 F CB 0.726 39.610 39.000 -0.193 0.000 1.120 199 F HN 0.140 nan 8.300 nan 0.000 0.493 200 H N 2.826 122.086 119.070 0.317 0.000 3.118 200 H HA 0.237 4.793 4.556 -0.000 0.000 0.266 200 H C -0.488 174.954 175.328 0.190 0.000 1.465 200 H CA -0.700 55.446 56.048 0.164 0.000 1.460 200 H CB 0.163 29.979 29.762 0.089 0.000 1.661 200 H HN 0.275 nan 8.280 nan 0.000 0.516 201 V N 3.757 123.737 119.914 0.110 0.000 2.387 201 V HA -0.044 4.076 4.120 -0.000 0.000 0.260 201 V C 0.686 176.687 176.094 -0.155 0.000 1.054 201 V CA -0.163 62.058 62.300 -0.132 0.000 0.967 201 V CB 0.581 32.054 31.823 -0.584 0.000 1.036 201 V HN 0.828 nan 8.190 nan 0.000 0.481 202 N N 3.167 121.766 118.700 -0.168 0.000 2.294 202 N HA 0.144 4.884 4.740 -0.000 0.000 0.186 202 N C -0.516 174.537 175.510 -0.761 0.000 1.107 202 N CA 0.432 53.178 53.050 -0.506 0.000 0.884 202 N CB 0.730 38.780 38.487 -0.729 0.000 1.030 202 N HN 0.648 nan 8.380 nan 0.000 0.482 203 Y N -0.040 120.201 120.300 -0.098 0.000 2.492 203 Y HA 0.568 5.118 4.550 -0.000 0.000 0.346 203 Y C -0.466 175.426 175.900 -0.012 0.000 0.997 203 Y CA -0.792 57.250 58.100 -0.096 0.000 1.025 203 Y CB 1.964 40.367 38.460 -0.093 0.000 1.263 203 Y HN -0.281 nan 8.280 nan 0.000 0.454 204 I N 2.107 122.757 120.570 0.135 0.000 2.466 204 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 204 I C -0.605 175.597 176.117 0.142 0.000 1.026 204 I CA -0.605 60.781 61.300 0.144 0.000 1.078 204 I CB 2.026 40.060 38.000 0.058 0.000 1.249 204 I HN 0.568 nan 8.210 nan 0.000 0.429 205 S N 8.024 123.841 115.700 0.195 0.000 2.594 205 S HA 0.468 4.938 4.470 -0.000 0.000 0.322 205 S C -1.832 172.864 174.600 0.161 0.000 1.085 205 S CA -1.486 56.816 58.200 0.170 0.000 1.116 205 S CB 1.067 64.388 63.200 0.202 0.000 0.979 205 S HN 0.436 nan 8.310 nan 0.000 0.465 206 P HA 0.136 nan 4.420 nan 0.000 0.235 206 P C -0.540 176.842 177.300 0.136 0.000 1.177 206 P CA 0.378 63.495 63.100 0.029 0.000 0.785 206 P CB -0.036 31.596 31.700 -0.114 0.000 0.885 207 N N -0.257 118.513 118.700 0.117 0.000 2.249 207 N HA 0.326 5.066 4.740 -0.000 0.000 0.296 207 N C -1.143 174.421 175.510 0.089 0.000 1.051 207 N CA -0.518 52.590 53.050 0.097 0.000 0.815 207 N CB 1.029 39.549 38.487 0.056 0.000 1.487 207 N HN -0.191 nan 8.380 nan 0.000 0.475 208 N N 0.593 119.330 118.700 0.063 0.000 2.342 208 N HA 0.211 4.951 4.740 -0.000 0.000 0.293 208 N C -1.137 174.426 175.510 0.089 0.000 1.026 208 N CA -0.395 52.700 53.050 0.074 0.000 0.857 208 N CB 0.897 39.425 38.487 0.070 0.000 1.256 208 N HN 0.487 nan 8.380 nan 0.000 0.484 209 E N 1.744 122.005 120.200 0.101 0.000 2.106 209 E HA -0.184 4.166 4.350 -0.000 0.000 0.175 209 E C -1.604 175.148 176.600 0.253 0.000 1.448 209 E CA 0.007 56.508 56.400 0.169 0.000 0.672 209 E CB -0.466 29.471 29.700 0.395 0.000 1.057 209 E HN 0.631 nan 8.360 nan 0.000 0.321 210 P HA -0.227 nan 4.420 nan 0.000 0.223 210 P C 0.976 178.221 177.300 -0.091 0.000 1.144 210 P CA 1.231 64.317 63.100 -0.023 0.000 0.783 210 P CB -0.035 31.581 31.700 -0.139 0.000 0.771 211 N N 0.155 118.765 118.700 -0.151 0.000 2.309 211 N HA -0.073 4.667 4.740 -0.000 0.000 0.182 211 N C 1.173 176.696 175.510 0.022 0.000 1.018 211 N CA 0.573 53.452 53.050 -0.285 0.000 0.876 211 N CB -1.103 36.729 38.487 -1.091 0.000 0.972 211 N HN 0.005 nan 8.380 nan 0.000 0.434 212 G N 0.612 109.450 108.800 0.063 0.000 2.491 212 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.242 212 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.242 212 G C -0.388 174.430 174.900 -0.137 0.000 1.266 212 G CA -0.445 44.514 45.100 -0.236 0.000 0.844 212 G HN 0.350 nan 8.290 nan 0.000 0.571 213 Q N 1.521 121.133 119.800 -0.313 0.000 3.181 213 Q HA 0.107 4.447 4.340 -0.000 0.000 0.293 213 Q C 0.352 176.179 176.000 -0.289 0.000 1.406 213 Q CA -0.522 55.138 55.803 -0.239 0.000 1.026 213 Q CB -0.072 28.499 28.738 -0.278 0.000 1.630 213 Q HN 0.757 nan 8.270 nan 0.000 0.553 214 W N 0.351 121.685 121.300 0.056 0.000 2.421 214 W HA -0.186 4.474 4.660 -0.000 0.000 0.270 214 W C 2.147 178.694 176.519 0.048 0.000 1.233 214 W CA 0.982 58.367 57.345 0.066 0.000 1.226 214 W CB 0.112 29.645 29.460 0.121 0.000 1.121 214 W HN 0.693 nan 8.180 nan 0.000 0.579 215 H N -1.244 117.946 119.070 0.200 0.000 2.559 215 H HA 0.235 4.791 4.556 -0.000 0.000 0.273 215 H C 1.588 176.959 175.328 0.072 0.000 1.000 215 H CA 1.200 57.322 56.048 0.123 0.000 1.195 215 H CB -0.262 29.541 29.762 0.068 0.000 1.368 215 H HN 0.140 nan 8.280 nan 0.000 0.592 216 A N 0.651 123.268 122.820 -0.339 0.000 2.308 216 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 216 A C 0.565 178.107 177.584 -0.070 0.000 1.216 216 A CA -0.220 51.667 52.037 -0.249 0.000 0.864 216 A CB 0.011 18.796 19.000 -0.358 0.000 0.902 216 A HN 0.335 nan 8.150 nan 0.000 0.499 217 N N 0.205 118.928 118.700 0.038 0.000 2.442 217 N HA 0.207 4.947 4.740 -0.000 0.000 0.274 217 N C 0.207 175.844 175.510 0.211 0.000 1.002 217 N CA 0.455 53.588 53.050 0.139 0.000 0.910 217 N CB 1.732 40.338 38.487 0.198 0.000 1.244 217 N HN 0.056 nan 8.380 nan 0.000 0.492 218 S N 2.653 118.459 115.700 0.176 0.000 2.578 218 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 218 S C 1.176 175.876 174.600 0.166 0.000 0.994 218 S CA -0.452 57.837 58.200 0.148 0.000 0.956 218 S CB -0.449 62.808 63.200 0.095 0.000 0.870 218 S HN 0.453 nan 8.310 nan 0.000 0.494 219 F N 2.845 122.824 119.950 0.049 0.000 2.502 219 F HA 0.290 4.817 4.527 -0.000 0.000 0.298 219 F C 0.809 176.579 175.800 -0.050 0.000 1.111 219 F CA 0.700 58.695 58.000 -0.008 0.000 1.445 219 F CB 0.075 39.078 39.000 0.006 0.000 1.081 219 F HN 0.440 nan 8.300 nan 0.000 0.558 220 Q N 0.171 119.999 119.800 0.047 0.000 2.633 220 Q HA 0.183 4.523 4.340 -0.000 0.000 0.289 220 Q C -1.292 174.758 176.000 0.083 0.000 0.940 220 Q CA -0.828 54.980 55.803 0.007 0.000 0.785 220 Q CB 1.369 30.277 28.738 0.282 0.000 1.467 220 Q HN 0.178 nan 8.270 nan 0.000 0.401 221 E N -0.011 120.224 120.200 0.057 0.000 2.373 221 E HA 0.529 4.879 4.350 -0.000 0.000 0.267 221 E C -0.206 176.265 176.600 -0.215 0.000 1.032 221 E CA 0.305 56.687 56.400 -0.029 0.000 0.889 221 E CB 1.079 30.767 29.700 -0.020 0.000 0.984 221 E HN 0.682 nan 8.360 nan 0.000 0.425 222 G N 0.539 109.172 108.800 -0.279 0.000 2.466 222 G HA2 0.405 4.365 3.960 -0.000 0.000 0.291 222 G HA3 0.405 4.365 3.960 -0.000 0.000 0.291 222 G C -1.513 173.187 174.900 -0.334 0.000 1.460 222 G CA -0.513 44.180 45.100 -0.678 0.000 0.791 222 G HN 0.367 nan 8.290 nan 0.000 0.505 223 S N -0.689 114.780 115.700 -0.384 0.000 2.566 223 S HA 0.594 5.064 4.470 -0.000 0.000 0.273 223 S C -0.838 173.909 174.600 0.245 0.000 1.157 223 S CA -0.626 57.589 58.200 0.025 0.000 0.938 223 S CB 0.899 64.091 63.200 -0.013 0.000 1.087 223 S HN 1.333 nan 8.310 nan 0.000 0.474 224 F N 4.205 124.349 119.950 0.324 0.000 2.626 224 F HA 0.466 4.993 4.527 -0.000 0.000 0.354 224 F C 0.246 176.127 175.800 0.135 0.000 1.168 224 F CA 1.077 59.228 58.000 0.252 0.000 1.368 224 F CB 0.383 39.504 39.000 0.202 0.000 1.092 224 F HN 0.776 nan 8.300 nan 0.000 0.612 225 A N 3.221 125.579 122.820 -0.771 0.000 2.566 225 A HA 0.550 4.870 4.320 -0.000 0.000 0.297 225 A C -0.382 176.694 177.584 -0.847 0.000 1.059 225 A CA -0.208 51.475 52.037 -0.590 0.000 0.691 225 A CB 0.694 19.570 19.000 -0.208 0.000 1.282 225 A HN 0.999 nan 8.150 nan 0.000 0.401 226 T N -0.519 113.729 114.554 -0.509 0.000 2.816 226 T HA 0.354 4.704 4.350 -0.000 0.000 0.282 226 T C 0.976 175.519 174.700 -0.261 0.000 0.993 226 T CA 0.016 61.922 62.100 -0.325 0.000 0.994 226 T CB 0.666 69.456 68.868 -0.129 0.000 1.025 226 T HN 0.600 nan 8.240 nan 0.000 0.529 227 K N 0.478 120.692 120.400 -0.310 0.000 2.097 227 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 227 K C 2.630 178.823 176.600 -0.677 0.000 1.049 227 K CA 1.244 57.255 56.287 -0.461 0.000 0.933 227 K CB -0.700 31.481 32.500 -0.533 0.000 0.717 227 K HN 0.722 nan 8.250 nan 0.000 0.442 228 A N 2.291 124.655 122.820 -0.761 0.000 1.892 228 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 228 A C 1.672 179.200 177.584 -0.094 0.000 1.188 228 A CA 2.144 53.941 52.037 -0.400 0.000 0.631 228 A CB -0.537 18.389 19.000 -0.123 0.000 0.822 228 A HN 0.215 nan 8.150 nan 0.000 0.447 229 D N 0.144 120.516 120.400 -0.047 0.000 2.087 229 D HA -0.144 4.496 4.640 -0.000 0.000 0.192 229 D C 1.985 178.390 176.300 0.176 0.000 0.993 229 D CA 1.385 55.472 54.000 0.145 0.000 0.828 229 D CB -0.558 40.330 40.800 0.147 0.000 0.968 229 D HN 0.463 nan 8.370 nan 0.000 0.448 230 L N -0.240 121.011 121.223 0.048 0.000 2.079 230 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 230 L C 2.524 179.420 176.870 0.043 0.000 1.081 230 L CA 1.055 55.920 54.840 0.043 0.000 0.752 230 L CB -0.537 41.519 42.059 -0.005 0.000 0.896 230 L HN 0.089 nan 8.230 nan 0.000 0.433 231 Y N 0.799 121.062 120.300 -0.062 0.000 2.145 231 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 231 Y C 2.844 178.718 175.900 -0.042 0.000 1.145 231 Y CA 1.472 59.565 58.100 -0.012 0.000 1.148 231 Y CB -0.116 38.384 38.460 0.067 0.000 0.981 231 Y HN -0.057 nan 8.280 nan 0.000 0.507 232 R N -0.851 119.670 120.500 0.034 0.000 2.073 232 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 232 R C 2.187 178.467 176.300 -0.033 0.000 1.134 232 R CA 1.729 57.755 56.100 -0.123 0.000 0.952 232 R CB -0.348 29.690 30.300 -0.436 0.000 0.850 232 R HN 0.343 nan 8.270 nan 0.000 0.433 233 M N 0.197 119.903 119.600 0.177 0.000 2.108 233 M HA -0.179 4.301 4.480 -0.000 0.000 0.257 233 M C 2.283 178.501 176.300 -0.136 0.000 1.071 233 M CA 1.589 56.955 55.300 0.109 0.000 1.093 233 M CB -0.808 31.857 32.600 0.107 0.000 1.345 233 M HN -0.004 nan 8.290 nan 0.000 0.403 234 V N -0.584 119.168 119.914 -0.269 0.000 2.307 234 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 234 V C 2.327 177.939 176.094 -0.804 0.000 1.045 234 V CA 1.984 64.001 62.300 -0.471 0.000 1.024 234 V CB -0.781 30.751 31.823 -0.485 0.000 0.651 234 V HN 0.505 nan 8.190 nan 0.000 0.449 235 E N -0.019 119.594 120.200 -0.979 0.000 2.038 235 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 235 E C 2.273 178.594 176.600 -0.465 0.000 1.000 235 E CA 1.535 57.336 56.400 -0.999 0.000 0.803 235 E CB -0.015 29.318 29.700 -0.610 0.000 0.750 235 E HN 0.535 nan 8.360 nan 0.000 0.448 236 E N 0.473 120.520 120.200 -0.255 0.000 2.072 236 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 236 E C 2.322 178.854 176.600 -0.114 0.000 0.985 236 E CA 0.609 56.948 56.400 -0.103 0.000 0.801 236 E CB -0.252 29.467 29.700 0.031 0.000 0.750 236 E HN 0.380 nan 8.360 nan 0.000 0.452 237 L N 0.845 121.971 121.223 -0.161 0.000 2.046 237 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 237 L C 2.342 179.124 176.870 -0.146 0.000 1.077 237 L CA 1.527 56.279 54.840 -0.146 0.000 0.747 237 L CB -0.301 41.662 42.059 -0.160 0.000 0.896 237 L HN 0.109 nan 8.230 nan 0.000 0.432 238 D N 0.087 120.348 120.400 -0.231 0.000 2.123 238 D HA -0.274 4.366 4.640 -0.000 0.000 0.196 238 D C 2.214 178.463 176.300 -0.086 0.000 0.992 238 D CA 1.415 55.312 54.000 -0.172 0.000 0.833 238 D CB 0.071 40.705 40.800 -0.277 0.000 0.954 238 D HN 0.070 nan 8.370 nan 0.000 0.455 239 K N -0.399 119.945 120.400 -0.094 0.000 2.057 239 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 239 K C 2.015 178.602 176.600 -0.021 0.000 1.050 239 K CA 1.131 57.398 56.287 -0.033 0.000 0.935 239 K CB -0.177 32.308 32.500 -0.024 0.000 0.715 239 K HN 0.177 nan 8.250 nan 0.000 0.439 240 A N 1.046 123.848 122.820 -0.031 0.000 1.929 240 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 240 A C 2.017 179.589 177.584 -0.020 0.000 1.176 240 A CA 1.063 53.092 52.037 -0.013 0.000 0.628 240 A CB -0.398 18.597 19.000 -0.008 0.000 0.816 240 A HN 0.307 nan 8.150 nan 0.000 0.444 241 I N -0.335 120.214 120.570 -0.036 0.000 2.252 241 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 241 I C 2.687 178.787 176.117 -0.027 0.000 1.102 241 I CA 1.352 62.630 61.300 -0.037 0.000 1.385 241 I CB -0.272 37.698 38.000 -0.049 0.000 1.064 241 I HN 0.200 nan 8.210 nan 0.000 0.414 242 S N 0.244 115.933 115.700 -0.018 0.000 2.359 242 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 242 S C 1.917 176.513 174.600 -0.007 0.000 1.035 242 S CA 1.474 59.670 58.200 -0.008 0.000 1.018 242 S CB -0.325 62.878 63.200 0.005 0.000 0.876 242 S HN 0.445 nan 8.310 nan 0.000 0.448 243 E N 0.932 121.130 120.200 -0.004 0.000 2.058 243 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 243 E C 2.163 178.759 176.600 -0.006 0.000 0.997 243 E CA 1.169 57.569 56.400 0.000 0.000 0.801 243 E CB -0.211 29.494 29.700 0.008 0.000 0.746 243 E HN 0.518 nan 8.360 nan 0.000 0.450 244 A N 0.330 123.143 122.820 -0.012 0.000 2.167 244 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 244 A C 0.577 178.144 177.584 -0.027 0.000 1.151 244 A CA 0.382 52.407 52.037 -0.019 0.000 0.735 244 A CB -0.147 18.839 19.000 -0.023 0.000 0.802 244 A HN 0.274 nan 8.150 nan 0.000 0.467 245 Q N -0.844 118.941 119.800 -0.025 0.000 2.453 245 Q HA -0.203 4.137 4.340 -0.000 0.000 0.294 245 Q C -0.185 175.790 176.000 -0.040 0.000 1.295 245 Q CA 0.849 56.634 55.803 -0.029 0.000 0.853 245 Q CB -1.937 26.786 28.738 -0.026 0.000 1.193 245 Q HN 0.921 nan 8.270 nan 0.000 0.461 246 I N -3.500 117.041 120.570 -0.047 0.000 2.664 246 I HA 0.471 4.641 4.170 -0.000 0.000 0.308 246 I C 0.391 176.463 176.117 -0.074 0.000 0.984 246 I CA -0.775 60.488 61.300 -0.062 0.000 1.213 246 I CB 1.169 39.128 38.000 -0.068 0.000 1.379 246 I HN -0.179 nan 8.210 nan 0.000 0.501 247 D N 3.131 123.476 120.400 -0.091 0.000 2.767 247 D HA 0.321 4.961 4.640 -0.000 0.000 0.241 247 D C -1.021 175.181 176.300 -0.164 0.000 1.187 247 D CA 0.024 53.955 54.000 -0.115 0.000 0.999 247 D CB 0.114 40.844 40.800 -0.116 0.000 1.042 247 D HN 0.699 nan 8.370 nan 0.000 0.510 248 T N 1.409 115.868 114.554 -0.160 0.000 2.933 248 T HA 0.418 4.768 4.350 -0.000 0.000 0.305 248 T C -0.223 174.373 174.700 -0.174 0.000 1.092 248 T CA -0.853 61.122 62.100 -0.208 0.000 1.008 248 T CB 2.205 70.974 68.868 -0.165 0.000 1.102 248 T HN -0.017 nan 8.240 nan 0.000 0.469 249 K N 1.535 121.800 120.400 -0.224 0.000 2.295 249 K HA 0.676 4.996 4.320 -0.000 0.000 0.239 249 K C -0.698 175.892 176.600 -0.016 0.000 0.991 249 K CA -0.987 55.239 56.287 -0.102 0.000 0.845 249 K CB 2.078 34.524 32.500 -0.090 0.000 1.197 249 K HN 0.454 nan 8.250 nan 0.000 0.441 250 I N 2.251 122.856 120.570 0.058 0.000 2.331 250 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 250 I C -0.752 175.462 176.117 0.161 0.000 0.998 250 I CA -0.843 60.501 61.300 0.072 0.000 1.267 250 I CB 0.991 38.993 38.000 0.004 0.000 1.386 250 I HN 0.223 nan 8.210 nan 0.000 0.476 251 L N 8.903 130.214 121.223 0.147 0.000 2.333 251 L HA 0.730 5.070 4.340 -0.000 0.000 0.280 251 L C -0.565 176.371 176.870 0.110 0.000 1.004 251 L CA -0.242 54.687 54.840 0.149 0.000 0.820 251 L CB 1.243 43.369 42.059 0.111 0.000 1.247 251 L HN 0.594 nan 8.230 nan 0.000 0.416 252 I N 2.153 122.801 120.570 0.131 0.000 3.279 252 I HA 0.717 4.887 4.170 -0.000 0.000 0.315 252 I C -2.364 173.834 176.117 0.136 0.000 1.187 252 I CA -1.612 59.764 61.300 0.128 0.000 0.953 252 I CB 2.262 40.342 38.000 0.132 0.000 1.279 252 I HN 0.366 nan 8.210 nan 0.000 0.465 253 P HA 0.183 nan 4.420 nan 0.000 0.275 253 P C -0.415 176.872 177.300 -0.022 0.000 1.310 253 P CA 0.250 63.383 63.100 0.055 0.000 0.904 253 P CB 0.315 32.056 31.700 0.068 0.000 1.381 254 E N -0.753 119.407 120.200 -0.066 0.000 2.637 254 E HA -0.119 4.231 4.350 -0.000 0.000 0.265 254 E C 0.394 176.700 176.600 -0.490 0.000 1.073 254 E CA 0.625 56.895 56.400 -0.218 0.000 0.778 254 E CB -2.390 27.291 29.700 -0.032 0.000 1.362 254 E HN 0.320 nan 8.360 nan 0.000 0.413 255 V N -2.386 117.371 119.914 -0.263 0.000 2.814 255 V HA 0.190 4.310 4.120 -0.000 0.000 0.307 255 V C 1.856 177.800 176.094 -0.251 0.000 1.089 255 V CA 0.943 63.132 62.300 -0.184 0.000 1.212 255 V CB 1.299 33.121 31.823 -0.002 0.000 0.912 255 V HN 0.204 nan 8.190 nan 0.000 0.497 256 G N 2.072 110.831 108.800 -0.068 0.000 2.471 256 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.219 256 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.219 256 G C 0.426 175.555 174.900 0.382 0.000 1.125 256 G CA 0.915 46.115 45.100 0.168 0.000 0.775 256 G HN 0.922 nan 8.290 nan 0.000 0.548 257 D N -1.398 119.245 120.400 0.405 0.000 2.879 257 D HA 0.312 4.952 4.640 -0.000 0.000 0.236 257 D C 1.128 177.650 176.300 0.369 0.000 1.171 257 D CA -0.650 53.636 54.000 0.477 0.000 0.868 257 D CB 1.677 42.817 40.800 0.566 0.000 1.598 257 D HN -0.103 nan 8.370 nan 0.000 0.497 258 M N 2.410 122.176 119.600 0.277 0.000 2.358 258 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 258 M C 2.040 178.428 176.300 0.147 0.000 1.064 258 M CA 1.220 56.636 55.300 0.194 0.000 1.093 258 M CB 0.076 32.787 32.600 0.185 0.000 1.401 258 M HN 0.423 nan 8.290 nan 0.000 0.440 259 K N -0.223 120.266 120.400 0.149 0.000 2.152 259 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 259 K C 1.102 177.675 176.600 -0.045 0.000 1.048 259 K CA 1.721 58.058 56.287 0.083 0.000 0.933 259 K CB -0.713 31.738 32.500 -0.082 0.000 0.721 259 K HN 0.321 nan 8.250 nan 0.000 0.447 260 Y N 1.555 121.894 120.300 0.065 0.000 2.616 260 Y HA 0.050 4.600 4.550 -0.000 0.000 0.296 260 Y C 1.781 177.629 175.900 -0.087 0.000 1.154 260 Y CA 0.394 58.510 58.100 0.027 0.000 1.325 260 Y CB -0.126 38.360 38.460 0.044 0.000 1.007 260 Y HN -0.016 nan 8.280 nan 0.000 0.542 261 L N -1.262 119.834 121.223 -0.212 0.000 2.376 261 L HA -0.072 4.268 4.340 -0.000 0.000 0.219 261 L C -0.241 176.208 176.870 -0.703 0.000 1.133 261 L CA 0.597 55.108 54.840 -0.548 0.000 0.816 261 L CB -0.273 41.256 42.059 -0.883 0.000 0.933 261 L HN 0.068 nan 8.230 nan 0.000 0.449 262 F N -1.546 118.459 119.950 0.092 0.000 2.618 262 F HA 0.365 4.892 4.527 -0.000 0.000 0.332 262 F C 0.483 176.317 175.800 0.055 0.000 1.061 262 F CA -1.594 56.452 58.000 0.077 0.000 0.974 262 F CB 0.647 39.669 39.000 0.036 0.000 1.310 262 F HN -0.302 nan 8.300 nan 0.000 0.491 263 E N 0.991 121.334 120.200 0.239 0.000 2.366 263 E HA 0.266 4.616 4.350 -0.000 0.000 0.266 263 E C 0.126 176.787 176.600 0.101 0.000 1.015 263 E CA 0.230 56.710 56.400 0.133 0.000 0.906 263 E CB 0.386 30.132 29.700 0.077 0.000 0.979 263 E HN 0.623 nan 8.360 nan 0.000 0.443 264 I N 0.772 121.384 120.570 0.070 0.000 4.557 264 I HA 0.393 4.563 4.170 -0.000 0.000 0.333 264 I C -0.656 175.477 176.117 0.025 0.000 1.332 264 I CA -0.370 60.944 61.300 0.023 0.000 1.240 264 I CB 0.618 38.584 38.000 -0.055 0.000 1.312 264 I HN 0.408 nan 8.210 nan 0.000 0.457 265 D N -0.482 119.951 120.400 0.054 0.000 2.725 265 D HA 0.226 4.866 4.640 -0.000 0.000 0.292 265 D C -0.514 175.826 176.300 0.067 0.000 1.288 265 D CA -0.181 53.853 54.000 0.056 0.000 0.784 265 D CB 1.011 41.852 40.800 0.069 0.000 1.308 265 D HN -0.190 nan 8.370 nan 0.000 0.429 266 S N -0.675 115.060 115.700 0.058 0.000 2.503 266 S HA 0.265 4.735 4.470 -0.000 0.000 0.215 266 S C 0.974 175.614 174.600 0.066 0.000 1.003 266 S CA -0.350 57.883 58.200 0.054 0.000 0.910 266 S CB -0.217 63.005 63.200 0.037 0.000 0.790 266 S HN 0.388 nan 8.310 nan 0.000 0.514 267 I N 2.508 123.125 120.570 0.077 0.000 2.581 267 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 267 I C 1.480 177.664 176.117 0.113 0.000 1.129 267 I CA -0.417 60.935 61.300 0.088 0.000 1.397 267 I CB 0.676 38.730 38.000 0.089 0.000 1.399 267 I HN 0.140 nan 8.210 nan 0.000 0.537 268 A N 7.431 130.313 122.820 0.104 0.000 1.978 268 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 268 A C 2.248 179.919 177.584 0.145 0.000 1.170 268 A CA 1.816 53.924 52.037 0.118 0.000 0.636 268 A CB -0.444 18.617 19.000 0.102 0.000 0.810 268 A HN 0.886 nan 8.150 nan 0.000 0.448 269 K N -0.800 119.700 120.400 0.167 0.000 2.217 269 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 269 K C 0.062 176.826 176.600 0.274 0.000 1.051 269 K CA 1.135 57.559 56.287 0.228 0.000 0.952 269 K CB -0.756 31.927 32.500 0.305 0.000 0.736 269 K HN 0.197 nan 8.250 nan 0.000 0.453 270 T N 5.038 119.753 114.554 0.269 0.000 2.831 270 T HA 0.052 4.402 4.350 -0.000 0.000 0.291 270 T C -2.250 172.553 174.700 0.173 0.000 0.981 270 T CA -0.975 61.293 62.100 0.281 0.000 1.174 270 T CB 0.951 69.985 68.868 0.277 0.000 0.929 270 T HN 0.219 nan 8.240 nan 0.000 0.532 271 P HA 0.150 nan 4.420 nan 0.000 0.218 271 P C -0.247 177.142 177.300 0.147 0.000 1.793 271 P CA -0.396 62.712 63.100 0.013 0.000 0.941 271 P CB -0.126 31.488 31.700 -0.143 0.000 1.919 272 D N -0.682 119.868 120.400 0.249 0.000 2.507 272 D HA 0.058 4.698 4.640 -0.000 0.000 0.280 272 D C 0.411 176.826 176.300 0.190 0.000 1.219 272 D CA -0.485 53.693 54.000 0.298 0.000 1.085 272 D CB -0.448 40.518 40.800 0.277 0.000 1.134 272 D HN -0.108 nan 8.370 nan 0.000 0.583 273 D N -1.718 118.779 120.400 0.163 0.000 2.792 273 D HA -0.163 4.477 4.640 -0.000 0.000 0.231 273 D C 1.095 177.494 176.300 0.165 0.000 1.160 273 D CA 0.247 54.342 54.000 0.159 0.000 0.697 273 D CB -0.669 40.224 40.800 0.155 0.000 1.070 273 D HN 0.349 nan 8.370 nan 0.000 0.426 274 I N -0.005 120.641 120.570 0.127 0.000 2.163 274 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 274 I C 2.596 178.865 176.117 0.252 0.000 1.085 274 I CA 1.089 62.497 61.300 0.180 0.000 1.347 274 I CB -0.815 37.269 38.000 0.141 0.000 1.044 274 I HN 0.314 nan 8.210 nan 0.000 0.408 275 I N -0.128 120.519 120.570 0.128 0.000 2.127 275 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 275 I C 2.751 179.001 176.117 0.221 0.000 1.075 275 I CA 1.505 62.892 61.300 0.145 0.000 1.334 275 I CB -0.547 37.449 38.000 -0.006 0.000 1.040 275 I HN 0.292 nan 8.210 nan 0.000 0.405 276 H N -0.926 118.219 119.070 0.125 0.000 2.317 276 H HA -0.067 4.489 4.556 -0.000 0.000 0.304 276 H C 2.591 177.986 175.328 0.112 0.000 1.067 276 H CA 1.582 57.605 56.048 -0.042 0.000 1.352 276 H CB -0.213 29.382 29.762 -0.278 0.000 1.398 276 H HN 0.219 nan 8.280 nan 0.000 0.510 277 S N 0.146 115.991 115.700 0.241 0.000 2.374 277 S HA -0.131 4.338 4.470 -0.000 0.000 0.227 277 S C 2.071 176.798 174.600 0.211 0.000 1.037 277 S CA 1.440 59.769 58.200 0.214 0.000 1.024 277 S CB -0.019 63.341 63.200 0.266 0.000 0.861 277 S HN 0.286 nan 8.310 nan 0.000 0.456 278 M N -1.917 117.814 119.600 0.219 0.000 2.571 278 M HA 0.260 4.740 4.480 -0.000 0.000 0.259 278 M C 0.275 176.441 176.300 -0.223 0.000 1.205 278 M CA 0.490 55.815 55.300 0.042 0.000 1.138 278 M CB 0.411 33.025 32.600 0.023 0.000 1.329 278 M HN 0.235 nan 8.290 nan 0.000 0.503 279 F N -1.162 118.855 119.950 0.111 0.000 2.735 279 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 279 F C -0.262 175.561 175.800 0.038 0.000 1.112 279 F CA -0.505 57.514 58.000 0.031 0.000 1.235 279 F CB 0.429 39.429 39.000 -0.001 0.000 1.027 279 F HN -0.106 nan 8.300 nan 0.000 0.528 280 Y N 1.019 121.349 120.300 0.049 0.000 2.377 280 Y HA 0.198 4.747 4.550 -0.000 0.000 0.339 280 Y C 1.521 177.419 175.900 -0.004 0.000 1.011 280 Y CA -1.079 57.032 58.100 0.020 0.000 1.093 280 Y CB 1.445 39.936 38.460 0.053 0.000 1.201 280 Y HN -0.013 nan 8.280 nan 0.000 0.455 281 K N 0.440 120.881 120.400 0.068 0.000 2.280 281 K HA -0.167 4.153 4.320 -0.000 0.000 0.202 281 K C 0.337 176.964 176.600 0.045 0.000 1.047 281 K CA 2.097 58.397 56.287 0.020 0.000 0.942 281 K CB 0.049 32.564 32.500 0.025 0.000 0.739 281 K HN 0.721 nan 8.250 nan 0.000 0.457 282 D N 0.382 120.843 120.400 0.102 0.000 2.368 282 D HA 0.071 4.711 4.640 -0.000 0.000 0.218 282 D C 0.487 176.822 176.300 0.058 0.000 1.112 282 D CA -0.266 53.774 54.000 0.066 0.000 0.834 282 D CB -0.083 40.763 40.800 0.076 0.000 0.953 282 D HN 0.248 nan 8.370 nan 0.000 0.505 283 G N 1.163 110.021 108.800 0.096 0.000 2.432 283 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.239 283 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.239 283 G C 0.707 175.585 174.900 -0.037 0.000 1.291 283 G CA -0.202 44.941 45.100 0.070 0.000 0.863 283 G HN 0.245 nan 8.290 nan 0.000 0.560 284 Q N 1.205 120.933 119.800 -0.120 0.000 2.173 284 Q HA -0.199 4.141 4.340 -0.000 0.000 0.208 284 Q C 0.290 175.954 176.000 -0.560 0.000 0.989 284 Q CA 1.588 57.172 55.803 -0.365 0.000 0.872 284 Q CB -0.132 28.310 28.738 -0.493 0.000 0.909 284 Q HN 0.683 nan 8.270 nan 0.000 0.420 285 Y N 0.138 120.390 120.300 -0.080 0.000 2.736 285 Y HA 0.344 4.894 4.550 -0.000 0.000 0.293 285 Y C -0.267 175.666 175.900 0.055 0.000 1.062 285 Y CA -0.573 57.463 58.100 -0.107 0.000 1.247 285 Y CB 0.725 39.169 38.460 -0.027 0.000 1.200 285 Y HN -0.065 nan 8.280 nan 0.000 0.552 286 S N 0.859 116.629 115.700 0.116 0.000 2.510 286 S HA 0.196 4.666 4.470 -0.000 0.000 0.279 286 S C 1.112 175.785 174.600 0.123 0.000 1.284 286 S CA -0.243 57.997 58.200 0.066 0.000 1.059 286 S CB 0.441 63.641 63.200 -0.000 0.000 0.901 286 S HN 0.382 nan 8.310 nan 0.000 0.491 287 V N 4.811 124.716 119.914 -0.014 0.000 3.621 287 V HA 0.259 4.379 4.120 -0.000 0.000 0.285 287 V C 1.513 177.557 176.094 -0.083 0.000 1.346 287 V CA 0.340 62.687 62.300 0.078 0.000 1.104 287 V CB -0.777 31.084 31.823 0.065 0.000 0.913 287 V HN 0.805 nan 8.190 nan 0.000 0.432 288 L N 1.438 122.526 121.223 -0.225 0.000 2.191 288 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 288 L C 2.741 179.504 176.870 -0.179 0.000 1.103 288 L CA 2.252 56.935 54.840 -0.260 0.000 0.769 288 L CB -0.579 41.207 42.059 -0.455 0.000 0.908 288 L HN 0.517 nan 8.230 nan 0.000 0.438 289 K N -0.021 120.227 120.400 -0.253 0.000 2.280 289 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 289 K C 0.178 176.613 176.600 -0.276 0.000 1.047 289 K CA 0.674 56.790 56.287 -0.286 0.000 0.942 289 K CB -0.342 31.918 32.500 -0.401 0.000 0.739 289 K HN 0.001 nan 8.250 nan 0.000 0.457 290 F N 3.110 123.028 119.950 -0.053 0.000 2.471 290 F HA 0.167 4.694 4.527 -0.000 0.000 0.365 290 F C 1.616 177.399 175.800 -0.029 0.000 1.095 290 F CA -0.812 57.154 58.000 -0.056 0.000 1.174 290 F CB 1.291 40.230 39.000 -0.102 0.000 1.105 290 F HN -0.024 nan 8.300 nan 0.000 0.535 291 K N 2.524 123.024 120.400 0.166 0.000 2.127 291 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 291 K C 0.779 177.432 176.600 0.088 0.000 1.047 291 K CA 1.854 58.200 56.287 0.099 0.000 0.927 291 K CB 0.037 32.580 32.500 0.072 0.000 0.716 291 K HN 0.592 nan 8.250 nan 0.000 0.450 292 N N 0.870 119.623 118.700 0.088 0.000 2.230 292 N HA 0.002 4.742 4.740 -0.000 0.000 0.202 292 N C -0.091 175.457 175.510 0.063 0.000 1.119 292 N CA -0.146 52.932 53.050 0.046 0.000 0.851 292 N CB 0.224 38.711 38.487 0.001 0.000 0.990 292 N HN 0.103 nan 8.380 nan 0.000 0.497 293 L N 1.606 122.891 121.223 0.103 0.000 2.525 293 L HA 0.077 4.417 4.340 -0.000 0.000 0.278 293 L C -0.133 176.852 176.870 0.192 0.000 1.218 293 L CA -0.022 54.891 54.840 0.122 0.000 0.878 293 L CB 0.049 42.176 42.059 0.114 0.000 1.127 293 L HN -0.059 nan 8.230 nan 0.000 0.492 294 F N 5.026 124.986 119.950 0.017 0.000 2.445 294 F HA 0.235 4.762 4.527 -0.000 0.000 0.359 294 F C 0.565 176.380 175.800 0.025 0.000 1.101 294 F CA -0.890 57.105 58.000 -0.008 0.000 1.177 294 F CB -0.078 38.884 39.000 -0.063 0.000 1.110 294 F HN 0.630 nan 8.300 nan 0.000 0.522 295 N N 6.143 124.757 118.700 -0.142 0.000 2.819 295 N HA 0.163 4.903 4.740 -0.000 0.000 0.284 295 N C -1.380 173.835 175.510 -0.491 0.000 1.196 295 N CA 0.281 53.237 53.050 -0.155 0.000 1.114 295 N CB -0.411 38.084 38.487 0.014 0.000 1.437 295 N HN 0.643 nan 8.380 nan 0.000 0.518 296 C N 1.938 120.893 119.300 -0.576 0.000 3.254 296 C HA 0.390 4.850 4.460 -0.000 0.000 0.405 296 C C -1.421 173.183 174.990 -0.644 0.000 1.027 296 C CA -0.753 57.770 59.018 -0.825 0.000 1.192 296 C CB 0.186 26.865 27.740 -1.768 0.000 1.567 296 C HN 0.176 nan 8.230 nan 0.000 0.582 297 V N 5.006 124.542 119.914 -0.629 0.000 2.398 297 V HA 0.767 4.887 4.120 -0.000 0.000 0.286 297 V C 0.768 176.645 176.094 -0.361 0.000 1.026 297 V CA 0.219 62.152 62.300 -0.611 0.000 0.868 297 V CB 1.455 32.895 31.823 -0.639 0.000 0.982 297 V HN 1.230 nan 8.190 nan 0.000 0.443 298 A N 4.299 126.973 122.820 -0.243 0.000 2.292 298 A HA 0.951 5.271 4.320 -0.000 0.000 0.319 298 A C 0.014 177.523 177.584 -0.126 0.000 1.206 298 A CA -0.049 51.861 52.037 -0.212 0.000 0.835 298 A CB 1.114 20.072 19.000 -0.069 0.000 1.164 298 A HN 1.359 nan 8.150 nan 0.000 0.505 299 A N 2.165 124.902 122.820 -0.137 0.000 2.566 299 A HA 0.765 5.085 4.320 -0.000 0.000 0.292 299 A C -0.813 176.851 177.584 0.133 0.000 1.112 299 A CA -0.637 51.423 52.037 0.037 0.000 0.707 299 A CB 0.864 20.016 19.000 0.253 0.000 1.302 299 A HN 0.959 nan 8.150 nan 0.000 0.409 300 H N 0.061 119.149 119.070 0.030 0.000 2.499 300 H HA 0.269 4.825 4.556 -0.000 0.000 0.340 300 H C -0.383 174.927 175.328 -0.029 0.000 1.148 300 H CA -0.897 55.118 56.048 -0.055 0.000 1.215 300 H CB 1.840 31.657 29.762 0.093 0.000 1.529 300 H HN 0.685 nan 8.280 nan 0.000 0.510 301 D N 1.613 121.959 120.400 -0.090 0.000 2.363 301 D HA -0.075 4.565 4.640 -0.000 0.000 0.220 301 D C -0.103 176.210 176.300 0.021 0.000 0.994 301 D CA 0.628 54.587 54.000 -0.068 0.000 0.890 301 D CB 0.191 40.837 40.800 -0.257 0.000 0.906 301 D HN 0.394 nan 8.370 nan 0.000 0.530 302 Y N -0.212 120.176 120.300 0.148 0.000 2.805 302 Y HA -0.121 4.429 4.550 -0.000 0.000 0.337 302 Y C 0.759 176.643 175.900 -0.026 0.000 1.252 302 Y CA 0.192 58.203 58.100 -0.148 0.000 1.515 302 Y CB -0.215 37.969 38.460 -0.460 0.000 1.305 302 Y HN 0.097 nan 8.280 nan 0.000 0.600 303 W N -0.415 121.138 121.300 0.421 0.000 2.869 303 W HA -0.317 4.343 4.660 -0.000 0.000 0.285 303 W C 1.041 177.695 176.519 0.225 0.000 1.098 303 W CA 0.624 58.143 57.345 0.290 0.000 0.571 303 W CB -1.861 27.739 29.460 0.234 0.000 2.131 303 W HN 0.523 nan 8.180 nan 0.000 1.367 304 S N -1.620 114.278 115.700 0.331 0.000 2.952 304 S HA 0.658 5.128 4.470 -0.000 0.000 0.251 304 S C 0.728 175.398 174.600 0.117 0.000 1.021 304 S CA 0.023 58.352 58.200 0.214 0.000 1.067 304 S CB 0.670 63.976 63.200 0.177 0.000 1.002 304 S HN 0.495 nan 8.310 nan 0.000 0.574 305 A N 0.593 123.495 122.820 0.137 0.000 2.308 305 A HA 0.599 4.919 4.320 -0.000 0.000 0.217 305 A C -0.034 177.610 177.584 0.101 0.000 1.216 305 A CA -0.145 51.882 52.037 -0.017 0.000 0.864 305 A CB -0.079 18.818 19.000 -0.172 0.000 0.902 305 A HN 0.834 nan 8.150 nan 0.000 0.499 306 Y N -0.273 120.083 120.300 0.092 0.000 2.457 306 Y HA 0.400 4.949 4.550 -0.000 0.000 0.322 306 Y C -2.819 173.172 175.900 0.151 0.000 1.218 306 Y CA -1.754 56.439 58.100 0.155 0.000 1.116 306 Y CB 1.523 40.171 38.460 0.314 0.000 1.335 306 Y HN 0.062 nan 8.280 nan 0.000 0.452 307 P HA 0.245 nan 4.420 nan 0.000 0.277 307 P C 0.156 177.249 177.300 -0.345 0.000 1.276 307 P CA 0.489 63.061 63.100 -0.880 0.000 0.788 307 P CB 0.835 32.151 31.700 -0.640 0.000 1.114 308 A N 0.240 122.880 122.820 -0.300 0.000 2.024 308 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 308 A C 2.042 179.552 177.584 -0.124 0.000 1.164 308 A CA 2.492 54.427 52.037 -0.169 0.000 0.643 308 A CB -1.945 16.971 19.000 -0.141 0.000 0.806 308 A HN 0.730 nan 8.150 nan 0.000 0.451 309 T N -1.484 112.997 114.554 -0.122 0.000 2.732 309 T HA -0.120 4.230 4.350 -0.000 0.000 0.261 309 T C 1.778 176.439 174.700 -0.066 0.000 1.040 309 T CA 1.235 63.286 62.100 -0.082 0.000 1.145 309 T CB -0.694 68.131 68.868 -0.072 0.000 0.866 309 T HN 0.183 nan 8.240 nan 0.000 0.427 310 L N 1.471 122.657 121.223 -0.062 0.000 1.976 310 L HA -0.089 4.251 4.340 -0.000 0.000 0.223 310 L C 2.489 179.346 176.870 -0.021 0.000 1.081 310 L CA 1.928 56.753 54.840 -0.024 0.000 0.784 310 L CB -1.306 40.759 42.059 0.009 0.000 0.896 310 L HN 0.345 nan 8.230 nan 0.000 0.438 311 L N -0.945 120.255 121.223 -0.038 0.000 2.010 311 L HA -0.249 4.091 4.340 -0.000 0.000 0.219 311 L C 2.504 179.339 176.870 -0.058 0.000 1.077 311 L CA 2.689 57.496 54.840 -0.053 0.000 0.773 311 L CB -0.777 41.224 42.059 -0.097 0.000 0.892 311 L HN 0.397 nan 8.230 nan 0.000 0.436 312 V N -3.783 116.092 119.914 -0.064 0.000 2.407 312 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 312 V C 2.168 178.231 176.094 -0.051 0.000 1.041 312 V CA 1.620 63.885 62.300 -0.059 0.000 1.040 312 V CB -0.973 30.816 31.823 -0.057 0.000 0.671 312 V HN 0.395 nan 8.190 nan 0.000 0.455 313 D N 0.673 121.044 120.400 -0.049 0.000 2.087 313 D HA -0.166 4.474 4.640 -0.000 0.000 0.192 313 D C 2.019 178.288 176.300 -0.052 0.000 0.993 313 D CA 2.249 56.217 54.000 -0.053 0.000 0.828 313 D CB -0.334 40.433 40.800 -0.056 0.000 0.968 313 D HN 0.546 nan 8.370 nan 0.000 0.448 314 I N 0.361 120.914 120.570 -0.028 0.000 2.226 314 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 314 I C 2.247 178.374 176.117 0.017 0.000 1.100 314 I CA 1.302 62.609 61.300 0.012 0.000 1.374 314 I CB 0.149 38.196 38.000 0.078 0.000 1.057 314 I HN -0.106 nan 8.210 nan 0.000 0.413 315 R N 0.267 120.751 120.500 -0.026 0.000 2.090 315 R HA -0.091 4.249 4.340 -0.000 0.000 0.228 315 R C 2.106 178.370 176.300 -0.060 0.000 1.110 315 R CA 1.351 57.407 56.100 -0.073 0.000 0.973 315 R CB -0.379 29.869 30.300 -0.085 0.000 0.869 315 R HN 0.406 nan 8.270 nan 0.000 0.440 316 N N 0.714 119.390 118.700 -0.041 0.000 2.084 316 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 316 N C 1.663 177.183 175.510 0.017 0.000 1.030 316 N CA 1.097 54.142 53.050 -0.008 0.000 0.849 316 N CB -0.249 38.225 38.487 -0.022 0.000 1.012 316 N HN 0.179 nan 8.380 nan 0.000 0.423 317 R N 0.885 121.370 120.500 -0.025 0.000 2.117 317 R HA -0.064 4.276 4.340 -0.000 0.000 0.243 317 R C 2.196 178.558 176.300 0.104 0.000 1.143 317 R CA 0.974 57.040 56.100 -0.057 0.000 0.968 317 R CB -0.251 29.887 30.300 -0.271 0.000 0.863 317 R HN 0.223 nan 8.270 nan 0.000 0.444 318 I N -0.772 119.887 120.570 0.148 0.000 2.142 318 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 318 I C 2.406 178.545 176.117 0.036 0.000 1.078 318 I CA 1.700 63.053 61.300 0.088 0.000 1.343 318 I CB -0.447 37.392 38.000 -0.268 0.000 1.046 318 I HN 0.319 nan 8.210 nan 0.000 0.405 319 H N 1.244 120.270 119.070 -0.073 0.000 2.357 319 H HA -0.156 4.400 4.556 -0.000 0.000 0.301 319 H C 2.215 177.544 175.328 0.002 0.000 1.082 319 H CA 1.769 57.785 56.048 -0.052 0.000 1.342 319 H CB 0.018 29.743 29.762 -0.062 0.000 1.389 319 H HN 0.080 nan 8.280 nan 0.000 0.511 320 K N 0.161 120.559 120.400 -0.003 0.000 1.978 320 K HA -0.178 4.142 4.320 -0.000 0.000 0.214 320 K C 1.932 178.537 176.600 0.009 0.000 1.049 320 K CA 1.921 58.194 56.287 -0.023 0.000 0.939 320 K CB 0.043 32.553 32.500 0.017 0.000 0.721 320 K HN 0.341 nan 8.250 nan 0.000 0.441 321 E N 0.791 121.051 120.200 0.100 0.000 2.072 321 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 321 E C 2.075 178.758 176.600 0.139 0.000 0.985 321 E CA 0.584 57.099 56.400 0.191 0.000 0.801 321 E CB -0.334 29.567 29.700 0.336 0.000 0.750 321 E HN 0.213 nan 8.360 nan 0.000 0.452 322 L N 1.682 122.932 121.223 0.046 0.000 1.994 322 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 322 L C 2.350 179.170 176.870 -0.085 0.000 1.071 322 L CA 2.223 57.050 54.840 -0.022 0.000 0.745 322 L CB -0.931 41.096 42.059 -0.053 0.000 0.892 322 L HN 0.085 nan 8.230 nan 0.000 0.431 323 S N -0.713 114.895 115.700 -0.153 0.000 2.447 323 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 323 S C 1.979 176.508 174.600 -0.119 0.000 1.006 323 S CA 0.627 58.722 58.200 -0.175 0.000 0.957 323 S CB -0.911 62.088 63.200 -0.335 0.000 0.773 323 S HN 0.447 nan 8.310 nan 0.000 0.507 324 A N 3.198 125.980 122.820 -0.063 0.000 2.225 324 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 324 A C 1.940 179.453 177.584 -0.118 0.000 1.164 324 A CA 1.233 53.271 52.037 0.001 0.000 0.710 324 A CB -0.804 18.284 19.000 0.147 0.000 0.780 324 A HN 0.749 nan 8.150 nan 0.000 0.473 325 N N -0.282 118.200 118.700 -0.363 0.000 2.515 325 N HA 0.096 4.836 4.740 -0.000 0.000 0.185 325 N C 1.067 176.385 175.510 -0.321 0.000 1.109 325 N CA 1.064 53.634 53.050 -0.800 0.000 0.903 325 N CB -0.820 37.073 38.487 -0.990 0.000 0.969 325 N HN 0.695 nan 8.380 nan 0.000 0.450 326 G N -0.327 108.381 108.800 -0.154 0.000 2.225 326 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.267 326 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.267 326 G C 0.335 175.202 174.900 -0.055 0.000 1.024 326 G CA 0.931 45.985 45.100 -0.076 0.000 0.784 326 G HN 0.672 nan 8.290 nan 0.000 0.507 327 H N -0.879 118.119 119.070 -0.120 0.000 3.233 327 H HA 0.264 4.820 4.556 -0.000 0.000 0.263 327 H C 1.429 176.727 175.328 -0.050 0.000 1.168 327 H CA 0.435 56.436 56.048 -0.079 0.000 1.159 327 H CB 0.437 30.149 29.762 -0.083 0.000 1.593 327 H HN 0.327 nan 8.280 nan 0.000 0.580 328 N N 0.775 119.493 118.700 0.029 0.000 2.754 328 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 328 N C -1.160 174.375 175.510 0.042 0.000 1.093 328 N CA 1.060 54.124 53.050 0.024 0.000 0.699 328 N CB -1.613 36.875 38.487 0.001 0.000 1.016 328 N HN 0.267 nan 8.380 nan 0.000 0.552 329 T N 1.463 116.037 114.554 0.033 0.000 2.834 329 T HA 0.143 4.493 4.350 -0.000 0.000 0.298 329 T C 0.883 175.555 174.700 -0.046 0.000 0.966 329 T CA -0.175 61.913 62.100 -0.021 0.000 1.141 329 T CB 0.867 69.708 68.868 -0.045 0.000 0.905 329 T HN 0.135 nan 8.240 nan 0.000 0.535 330 K N 1.709 122.041 120.400 -0.114 0.000 2.187 330 K HA 0.406 4.726 4.320 -0.000 0.000 0.247 330 K C -0.479 176.110 176.600 -0.018 0.000 1.019 330 K CA -0.319 55.934 56.287 -0.057 0.000 0.893 330 K CB 0.421 32.843 32.500 -0.130 0.000 1.025 330 K HN 0.506 nan 8.250 nan 0.000 0.500 331 F N 0.532 120.468 119.950 -0.023 0.000 2.565 331 F HA 0.402 4.929 4.527 -0.000 0.000 0.313 331 F C -1.802 174.139 175.800 0.235 0.000 1.091 331 F CA -0.758 57.238 58.000 -0.008 0.000 0.915 331 F CB 1.160 40.155 39.000 -0.009 0.000 1.208 331 F HN 0.364 nan 8.300 nan 0.000 0.453 332 W N 4.731 125.388 121.300 -1.071 0.000 2.683 332 W HA 0.710 5.370 4.660 -0.000 0.000 0.329 332 W C -0.955 174.828 176.519 -1.226 0.000 1.037 332 W CA -1.592 55.261 57.345 -0.820 0.000 1.232 332 W CB 1.776 30.950 29.460 -0.476 0.000 1.390 332 W HN 0.788 nan 8.180 nan 0.000 0.465 333 A N 2.255 124.670 122.820 -0.674 0.000 2.279 333 A HA 0.485 4.805 4.320 -0.000 0.000 0.306 333 A C 0.764 177.957 177.584 -0.652 0.000 1.300 333 A CA 0.053 51.757 52.037 -0.556 0.000 0.925 333 A CB 0.348 19.158 19.000 -0.318 0.000 1.152 333 A HN 0.638 nan 8.150 nan 0.000 0.544 334 S N 1.085 116.521 115.700 -0.439 0.000 2.559 334 S HA 0.322 4.792 4.470 -0.000 0.000 0.226 334 S C 0.131 174.411 174.600 -0.534 0.000 1.000 334 S CA 0.085 58.062 58.200 -0.373 0.000 0.948 334 S CB 0.136 63.288 63.200 -0.080 0.000 0.870 334 S HN 0.780 nan 8.310 nan 0.000 0.497 335 E N -0.587 119.190 120.200 -0.706 0.000 2.451 335 E HA 0.471 4.821 4.350 -0.000 0.000 0.295 335 E C -2.378 173.749 176.600 -0.788 0.000 0.966 335 E CA -0.622 55.295 56.400 -0.805 0.000 0.808 335 E CB 1.818 30.760 29.700 -1.264 0.000 1.242 335 E HN 0.313 nan 8.360 nan 0.000 0.412 336 Y N 3.047 122.868 120.300 -0.798 0.000 2.592 336 Y HA 0.599 5.149 4.550 -0.000 0.000 0.334 336 Y C -1.539 174.272 175.900 -0.147 0.000 1.136 336 Y CA -0.590 56.997 58.100 -0.854 0.000 1.042 336 Y CB 1.122 39.161 38.460 -0.702 0.000 1.325 336 Y HN 0.876 nan 8.280 nan 0.000 0.457 337 C N 3.501 122.267 119.300 -0.889 0.000 3.321 337 C HA 0.675 5.135 4.460 -0.000 0.000 0.329 337 C C -1.175 173.354 174.990 -0.770 0.000 1.394 337 C CA -1.281 57.581 59.018 -0.261 0.000 1.291 337 C CB 0.762 28.659 27.740 0.262 0.000 1.606 337 C HN 0.776 nan 8.230 nan 0.000 0.463 338 I N 2.475 122.945 120.570 -0.166 0.000 2.505 338 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 338 I C 0.322 176.413 176.117 -0.042 0.000 1.104 338 I CA 0.331 61.606 61.300 -0.042 0.000 1.387 338 I CB 0.463 38.541 38.000 0.130 0.000 1.404 338 I HN 0.708 nan 8.210 nan 0.000 0.528 339 L N 5.427 126.598 121.223 -0.086 0.000 2.663 339 L HA 0.157 4.497 4.340 -0.000 0.000 0.218 339 L C 1.243 178.124 176.870 0.019 0.000 1.043 339 L CA 0.639 55.427 54.840 -0.087 0.000 0.876 339 L CB -0.101 41.777 42.059 -0.301 0.000 1.263 339 L HN 0.612 nan 8.230 nan 0.000 0.486 340 E N 1.305 121.504 120.200 -0.000 0.000 2.408 340 E HA 0.320 4.670 4.350 -0.000 0.000 0.259 340 E C -0.474 176.204 176.600 0.130 0.000 1.110 340 E CA -0.044 56.508 56.400 0.254 0.000 0.929 340 E CB 0.507 30.407 29.700 0.332 0.000 0.971 340 E HN 0.064 nan 8.360 nan 0.000 0.438 341 K N 2.050 122.530 120.400 0.134 0.000 2.323 341 K HA 0.460 4.780 4.320 -0.000 0.000 0.259 341 K C -0.596 175.973 176.600 -0.052 0.000 0.947 341 K CA -0.453 55.846 56.287 0.019 0.000 0.819 341 K CB 0.678 33.202 32.500 0.040 0.000 1.109 341 K HN 0.839 nan 8.250 nan 0.000 0.429 342 N N -1.553 117.046 118.700 -0.169 0.000 3.020 342 N HA 0.126 4.866 4.740 -0.000 0.000 0.248 342 N C 0.619 176.010 175.510 -0.198 0.000 1.480 342 N CA -0.188 52.700 53.050 -0.270 0.000 0.874 342 N CB 0.836 38.872 38.487 -0.751 0.000 1.433 342 N HN 0.569 nan 8.380 nan 0.000 0.530 343 E N -0.550 119.574 120.200 -0.127 0.000 2.204 343 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 343 E C 0.488 177.069 176.600 -0.031 0.000 0.990 343 E CA 1.263 57.644 56.400 -0.032 0.000 0.821 343 E CB -0.257 29.470 29.700 0.046 0.000 0.750 343 E HN 0.700 nan 8.360 nan 0.000 0.477 344 E N 0.578 120.746 120.200 -0.052 0.000 2.274 344 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 344 E C 2.078 178.633 176.600 -0.076 0.000 0.996 344 E CA 1.403 57.806 56.400 0.005 0.000 0.840 344 E CB -0.053 29.739 29.700 0.154 0.000 0.772 344 E HN 0.693 nan 8.360 nan 0.000 0.491 345 I N -4.103 116.366 120.570 -0.168 0.000 4.774 345 I HA 0.142 4.312 4.170 -0.000 0.000 0.330 345 I C 0.161 176.211 176.117 -0.111 0.000 1.287 345 I CA -0.219 60.973 61.300 -0.180 0.000 1.311 345 I CB 0.953 38.730 38.000 -0.372 0.000 1.315 345 I HN -0.298 nan 8.210 nan 0.000 0.459 346 T N 4.147 118.640 114.554 -0.101 0.000 2.727 346 T HA 0.665 5.015 4.350 -0.000 0.000 0.298 346 T C -0.520 174.161 174.700 -0.032 0.000 0.942 346 T CA 0.118 62.184 62.100 -0.057 0.000 0.997 346 T CB 0.788 69.625 68.868 -0.051 0.000 0.917 346 T HN 0.312 nan 8.240 nan 0.000 0.487 347 M N 3.557 123.146 119.600 -0.019 0.000 2.569 347 M HA 0.330 4.810 4.480 -0.000 0.000 0.287 347 M C -2.747 173.552 176.300 -0.003 0.000 1.130 347 M CA -1.610 53.684 55.300 -0.010 0.000 0.885 347 M CB 1.948 34.540 32.600 -0.012 0.000 1.759 347 M HN 0.280 nan 8.290 nan 0.000 0.515 348 P HA 0.271 nan 4.420 nan 0.000 0.268 348 P C -1.173 176.132 177.300 0.008 0.000 1.208 348 P CA -0.259 62.845 63.100 0.006 0.000 0.777 348 P CB 0.423 32.127 31.700 0.006 0.000 0.875 349 A N 1.970 124.797 122.820 0.011 0.000 2.498 349 A HA 0.503 4.823 4.320 -0.000 0.000 0.239 349 A C 0.363 177.956 177.584 0.015 0.000 1.068 349 A CA 0.646 52.692 52.037 0.015 0.000 0.766 349 A CB -0.557 18.454 19.000 0.018 0.000 1.003 349 A HN 0.668 nan 8.150 nan 0.000 0.497 350 S N 0.930 116.640 115.700 0.018 0.000 2.597 350 S HA 0.551 5.021 4.470 -0.000 0.000 0.274 350 S C -2.826 171.787 174.600 0.021 0.000 1.132 350 S CA -0.720 57.489 58.200 0.017 0.000 0.835 350 S CB 1.004 64.211 63.200 0.012 0.000 1.092 350 S HN 0.225 nan 8.310 nan 0.000 0.457 351 P HA -0.010 nan 4.420 nan 0.000 0.219 351 P C 0.864 178.177 177.300 0.021 0.000 1.146 351 P CA 1.310 64.423 63.100 0.022 0.000 0.808 351 P CB 0.061 31.771 31.700 0.016 0.000 0.779 352 E N -0.738 119.471 120.200 0.014 0.000 2.028 352 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 352 E C 2.164 178.771 176.600 0.011 0.000 0.984 352 E CA 0.746 57.151 56.400 0.008 0.000 0.800 352 E CB -0.748 28.953 29.700 0.002 0.000 0.758 352 E HN 0.047 nan 8.360 nan 0.000 0.448 353 R N 0.677 121.185 120.500 0.013 0.000 2.103 353 R HA -0.157 4.182 4.340 -0.000 0.000 0.242 353 R C 2.110 178.430 176.300 0.033 0.000 1.142 353 R CA 1.849 57.958 56.100 0.015 0.000 0.960 353 R CB -0.397 29.910 30.300 0.012 0.000 0.858 353 R HN 0.141 nan 8.270 nan 0.000 0.439 354 S N 0.790 116.516 115.700 0.043 0.000 2.383 354 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 354 S C 1.767 176.418 174.600 0.084 0.000 1.030 354 S CA 1.330 59.570 58.200 0.066 0.000 1.002 354 S CB -0.260 62.981 63.200 0.069 0.000 0.829 354 S HN 0.343 nan 8.310 nan 0.000 0.467 355 I N 2.460 123.068 120.570 0.063 0.000 2.406 355 I HA -0.039 4.131 4.170 -0.000 0.000 0.249 355 I C 1.530 177.685 176.117 0.063 0.000 1.122 355 I CA 1.005 62.344 61.300 0.065 0.000 1.431 355 I CB -0.525 37.497 38.000 0.035 0.000 1.087 355 I HN 0.054 nan 8.210 nan 0.000 0.424 356 N N 0.718 119.442 118.700 0.041 0.000 2.069 356 N HA -0.175 4.564 4.740 -0.000 0.000 0.191 356 N C 1.925 177.509 175.510 0.125 0.000 1.031 356 N CA 1.721 54.794 53.050 0.038 0.000 0.852 356 N CB -0.558 37.936 38.487 0.011 0.000 1.018 356 N HN 0.362 nan 8.380 nan 0.000 0.423 357 L N 0.108 121.404 121.223 0.123 0.000 2.017 357 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 357 L C 2.452 179.489 176.870 0.278 0.000 1.073 357 L CA 1.485 56.437 54.840 0.187 0.000 0.745 357 L CB -0.975 41.173 42.059 0.149 0.000 0.894 357 L HN 0.235 nan 8.230 nan 0.000 0.432 358 G N 0.014 108.948 108.800 0.223 0.000 2.440 358 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 358 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 358 G C 1.622 176.664 174.900 0.236 0.000 1.154 358 G CA 0.731 45.972 45.100 0.235 0.000 0.767 358 G HN 0.230 nan 8.290 nan 0.000 0.552 359 L N -1.316 120.038 121.223 0.219 0.000 2.072 359 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 359 L C 2.534 179.653 176.870 0.414 0.000 1.079 359 L CA 0.970 55.962 54.840 0.253 0.000 0.752 359 L CB -0.508 41.607 42.059 0.094 0.000 0.906 359 L HN 0.286 nan 8.230 nan 0.000 0.436 360 Y N 0.251 120.726 120.300 0.291 0.000 2.193 360 Y HA -0.287 4.263 4.550 -0.000 0.000 0.285 360 Y C 2.305 178.282 175.900 0.128 0.000 1.166 360 Y CA 1.836 60.107 58.100 0.285 0.000 1.181 360 Y CB -0.020 38.578 38.460 0.231 0.000 0.976 360 Y HN -0.119 nan 8.280 nan 0.000 0.520 361 V N -0.262 119.787 119.914 0.226 0.000 2.535 361 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 361 V C 2.605 178.569 176.094 -0.217 0.000 1.045 361 V CA 1.273 63.563 62.300 -0.018 0.000 1.058 361 V CB -1.303 30.623 31.823 0.171 0.000 0.689 361 V HN 0.520 nan 8.190 nan 0.000 0.461 362 A N 0.690 123.494 122.820 -0.027 0.000 1.917 362 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 362 A C 2.366 179.908 177.584 -0.069 0.000 1.182 362 A CA 2.402 54.443 52.037 0.007 0.000 0.633 362 A CB -0.619 18.501 19.000 0.201 0.000 0.819 362 A HN 0.522 nan 8.150 nan 0.000 0.448 363 R N -0.118 120.343 120.500 -0.064 0.000 2.094 363 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 363 R C 1.952 178.108 176.300 -0.240 0.000 1.137 363 R CA 2.172 58.176 56.100 -0.161 0.000 0.943 363 R CB -0.544 29.583 30.300 -0.288 0.000 0.850 363 R HN 0.538 nan 8.270 nan 0.000 0.433 364 I N 0.604 120.947 120.570 -0.379 0.000 2.151 364 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 364 I C 2.351 178.209 176.117 -0.431 0.000 1.080 364 I CA 1.513 62.566 61.300 -0.411 0.000 1.339 364 I CB -0.315 37.363 38.000 -0.535 0.000 1.039 364 I HN 0.269 nan 8.210 nan 0.000 0.409 365 I N -0.038 120.096 120.570 -0.726 0.000 2.179 365 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 365 I C 2.728 178.523 176.117 -0.538 0.000 1.088 365 I CA 1.812 62.515 61.300 -0.994 0.000 1.357 365 I CB -0.696 36.502 38.000 -1.337 0.000 1.051 365 I HN 0.316 nan 8.210 nan 0.000 0.409 366 H N 1.598 120.416 119.070 -0.421 0.000 2.289 366 H HA -0.193 4.363 4.556 -0.000 0.000 0.296 366 H C 2.084 177.338 175.328 -0.123 0.000 1.091 366 H CA 2.213 58.170 56.048 -0.152 0.000 1.274 366 H CB -0.108 29.651 29.762 -0.005 0.000 1.364 366 H HN 0.225 nan 8.280 nan 0.000 0.490 367 N N 0.145 118.764 118.700 -0.135 0.000 2.166 367 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 367 N C 1.264 176.675 175.510 -0.165 0.000 1.019 367 N CA 1.283 54.233 53.050 -0.166 0.000 0.856 367 N CB -0.145 38.291 38.487 -0.084 0.000 0.993 367 N HN 0.512 nan 8.380 nan 0.000 0.426 368 D N 1.300 121.632 120.400 -0.113 0.000 2.104 368 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 368 D C 2.192 178.476 176.300 -0.027 0.000 0.994 368 D CA 0.665 54.667 54.000 0.003 0.000 0.830 368 D CB -0.299 40.603 40.800 0.170 0.000 0.959 368 D HN 0.236 nan 8.370 nan 0.000 0.452 369 L N 0.354 121.519 121.223 -0.096 0.000 2.141 369 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 369 L C 2.520 179.319 176.870 -0.119 0.000 1.094 369 L CA 1.558 56.371 54.840 -0.045 0.000 0.763 369 L CB -0.457 41.625 42.059 0.039 0.000 0.908 369 L HN 0.175 nan 8.230 nan 0.000 0.437 370 T N -3.919 110.467 114.554 -0.278 0.000 3.034 370 T HA 0.133 4.483 4.350 -0.000 0.000 0.248 370 T C 1.688 176.173 174.700 -0.358 0.000 1.040 370 T CA 0.063 61.939 62.100 -0.374 0.000 1.107 370 T CB -0.002 68.546 68.868 -0.533 0.000 0.932 370 T HN 0.140 nan 8.240 nan 0.000 0.474 371 L N 0.533 121.587 121.223 -0.280 0.000 2.269 371 L HA 0.500 4.840 4.340 -0.000 0.000 0.200 371 L C 3.001 179.732 176.870 -0.233 0.000 1.069 371 L CA 0.783 55.481 54.840 -0.237 0.000 0.804 371 L CB -0.482 41.485 42.059 -0.153 0.000 0.987 371 L HN 0.313 nan 8.230 nan 0.000 0.468 372 A N -0.825 121.890 122.820 -0.176 0.000 2.238 372 A HA -0.009 4.311 4.320 -0.000 0.000 0.208 372 A C 0.743 178.275 177.584 -0.087 0.000 1.177 372 A CA -0.027 51.909 52.037 -0.167 0.000 0.804 372 A CB -0.622 18.229 19.000 -0.248 0.000 0.823 372 A HN 0.596 nan 8.150 nan 0.000 0.482 373 N N -0.691 117.916 118.700 -0.154 0.000 2.714 373 N HA -0.193 4.547 4.740 -0.000 0.000 0.252 373 N C 0.255 175.830 175.510 0.107 0.000 1.014 373 N CA 0.167 53.165 53.050 -0.086 0.000 0.735 373 N CB -0.754 37.624 38.487 -0.182 0.000 0.924 373 N HN 0.672 nan 8.380 nan 0.000 0.540 374 A N 0.061 122.978 122.820 0.161 0.000 2.477 374 A HA 0.263 4.583 4.320 -0.000 0.000 0.246 374 A C 1.201 178.836 177.584 0.084 0.000 1.078 374 A CA 0.192 52.367 52.037 0.230 0.000 0.770 374 A CB 0.439 19.574 19.000 0.225 0.000 1.011 374 A HN 0.353 nan 8.150 nan 0.000 0.494 375 S N 0.634 116.402 115.700 0.113 0.000 2.548 375 S HA 0.427 4.897 4.470 -0.000 0.000 0.215 375 S C 0.571 174.975 174.600 -0.326 0.000 0.976 375 S CA 0.628 58.858 58.200 0.051 0.000 0.908 375 S CB -0.077 63.308 63.200 0.308 0.000 0.781 375 S HN 1.312 nan 8.310 nan 0.000 0.519 376 A N 0.525 122.961 122.820 -0.639 0.000 2.547 376 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 376 A C -2.214 174.908 177.584 -0.771 0.000 1.056 376 A CA -0.610 50.790 52.037 -1.061 0.000 0.688 376 A CB 0.968 18.733 19.000 -2.058 0.000 1.282 376 A HN 0.369 nan 8.150 nan 0.000 0.400 377 W N 1.676 122.414 121.300 -0.938 0.000 2.656 377 W HA 0.633 5.293 4.660 -0.000 0.000 0.327 377 W C -0.745 175.510 176.519 -0.440 0.000 1.041 377 W CA 0.032 57.019 57.345 -0.597 0.000 1.229 377 W CB 1.807 30.997 29.460 -0.450 0.000 1.397 377 W HN 0.700 nan 8.180 nan 0.000 0.479 378 Q N 4.682 123.845 119.800 -1.062 0.000 2.292 378 Q HA 0.234 4.574 4.340 -0.000 0.000 0.270 378 Q C -0.997 174.505 176.000 -0.830 0.000 1.024 378 Q CA -0.860 54.529 55.803 -0.689 0.000 0.768 378 Q CB 2.065 30.479 28.738 -0.539 0.000 1.250 378 Q HN 0.455 nan 8.270 nan 0.000 0.447 379 W N 2.202 123.310 121.300 -0.319 0.000 2.126 379 W HA 0.130 4.790 4.660 -0.000 0.000 0.346 379 W C 1.012 177.426 176.519 -0.175 0.000 1.279 379 W CA -0.382 56.862 57.345 -0.168 0.000 1.259 379 W CB 0.589 30.073 29.460 0.040 0.000 1.133 379 W HN 0.656 nan 8.180 nan 0.000 0.592 380 W N 1.136 122.451 121.300 0.024 0.000 1.625 380 W HA 0.033 4.693 4.660 -0.000 0.000 0.529 380 W C 0.533 176.978 176.519 -0.123 0.000 2.068 380 W CA 0.213 57.474 57.345 -0.140 0.000 2.305 380 W CB -0.238 29.168 29.460 -0.090 0.000 2.192 380 W HN 0.242 nan 8.180 nan 0.000 0.835 381 T N 0.779 114.706 114.554 -1.045 0.000 2.800 381 T HA 0.157 4.507 4.350 -0.000 0.000 0.283 381 T C 0.849 175.284 174.700 -0.441 0.000 0.999 381 T CA 0.329 61.881 62.100 -0.914 0.000 1.176 381 T CB 0.897 69.151 68.868 -1.023 0.000 0.973 381 T HN 0.513 nan 8.240 nan 0.000 0.519 382 A N 3.852 126.473 122.820 -0.332 0.000 1.986 382 A HA 0.196 4.516 4.320 -0.000 0.000 0.220 382 A C 1.366 178.770 177.584 -0.300 0.000 1.171 382 A CA 1.465 53.350 52.037 -0.253 0.000 0.640 382 A CB -0.802 18.189 19.000 -0.015 0.000 0.811 382 A HN 1.534 nan 8.150 nan 0.000 0.451 383 V N -4.051 115.691 119.914 -0.287 0.000 2.864 383 V HA 0.842 4.962 4.120 -0.000 0.000 0.314 383 V C -0.468 175.482 176.094 -0.240 0.000 1.073 383 V CA -0.023 62.129 62.300 -0.247 0.000 0.956 383 V CB 1.615 33.305 31.823 -0.221 0.000 1.023 383 V HN 0.693 nan 8.190 nan 0.000 0.435 384 S N 1.810 117.400 115.700 -0.182 0.000 2.588 384 S HA 0.588 5.058 4.470 -0.000 0.000 0.269 384 S C -0.164 174.368 174.600 -0.114 0.000 1.157 384 S CA -0.525 57.585 58.200 -0.151 0.000 0.824 384 S CB 1.695 64.839 63.200 -0.094 0.000 1.126 384 S HN 0.771 nan 8.310 nan 0.000 0.464 385 L N 2.398 123.548 121.223 -0.122 0.000 2.313 385 L HA 0.335 4.675 4.340 -0.000 0.000 0.214 385 L C 1.682 178.537 176.870 -0.025 0.000 1.119 385 L CA 1.828 56.624 54.840 -0.073 0.000 0.809 385 L CB -0.974 41.023 42.059 -0.103 0.000 0.933 385 L HN 0.778 nan 8.230 nan 0.000 0.449 386 G N -1.614 107.176 108.800 -0.018 0.000 2.557 386 G HA2 0.247 4.207 3.960 -0.000 0.000 0.302 386 G HA3 0.247 4.207 3.960 -0.000 0.000 0.302 386 G C -0.425 174.476 174.900 0.001 0.000 1.311 386 G CA -0.426 44.676 45.100 0.004 0.000 1.030 386 G HN 0.096 nan 8.290 nan 0.000 0.509 387 E N 0.179 120.388 120.200 0.015 0.000 2.127 387 E HA 0.200 4.550 4.350 -0.000 0.000 0.262 387 E C -0.520 176.104 176.600 0.039 0.000 1.144 387 E CA -0.324 56.087 56.400 0.018 0.000 1.144 387 E CB 0.021 29.738 29.700 0.028 0.000 1.297 387 E HN 0.499 nan 8.360 nan 0.000 0.469 388 D N 1.103 121.523 120.400 0.033 0.000 2.538 388 D HA 0.061 4.701 4.640 -0.000 0.000 0.241 388 D C 0.201 176.568 176.300 0.112 0.000 1.297 388 D CA -0.089 53.967 54.000 0.093 0.000 0.804 388 D CB 0.318 41.172 40.800 0.090 0.000 1.122 388 D HN 0.128 nan 8.370 nan 0.000 0.519 389 V N -4.984 114.870 119.914 -0.099 0.000 3.203 389 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 389 V C -2.280 173.416 176.094 -0.662 0.000 1.361 389 V CA -1.929 60.049 62.300 -0.535 0.000 1.066 389 V CB 1.567 33.149 31.823 -0.401 0.000 1.085 389 V HN -0.376 nan 8.190 nan 0.000 0.456 390 P HA 0.017 nan 4.420 nan 0.000 0.214 390 P C 0.307 177.363 177.300 -0.406 0.000 1.163 390 P CA 1.560 64.256 63.100 -0.673 0.000 0.889 390 P CB 0.010 31.260 31.700 -0.751 0.000 0.790 391 I N -1.060 119.304 120.570 -0.342 0.000 2.404 391 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 391 I C 0.324 176.355 176.117 -0.144 0.000 0.992 391 I CA -0.722 60.454 61.300 -0.207 0.000 1.149 391 I CB 1.651 39.546 38.000 -0.175 0.000 1.315 391 I HN -0.146 nan 8.210 nan 0.000 0.446 392 Q N 5.213 124.969 119.800 -0.073 0.000 2.245 392 Q HA 0.531 4.871 4.340 -0.000 0.000 0.256 392 Q C -1.610 174.405 176.000 0.026 0.000 0.942 392 Q CA -0.880 54.904 55.803 -0.030 0.000 0.896 392 Q CB 1.641 30.374 28.738 -0.008 0.000 1.272 392 Q HN 0.438 nan 8.270 nan 0.000 0.442 393 L N 4.571 125.821 121.223 0.045 0.000 2.287 393 L HA 0.470 4.810 4.340 -0.000 0.000 0.287 393 L C -0.956 175.989 176.870 0.126 0.000 1.022 393 L CA -0.092 54.833 54.840 0.142 0.000 0.814 393 L CB 1.440 43.587 42.059 0.147 0.000 1.217 393 L HN 0.617 nan 8.230 nan 0.000 0.420 394 L N 5.731 127.038 121.223 0.140 0.000 2.341 394 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 394 L C -2.173 174.751 176.870 0.091 0.000 1.005 394 L CA -1.953 52.944 54.840 0.094 0.000 0.818 394 L CB 1.884 43.985 42.059 0.069 0.000 1.259 394 L HN 0.368 nan 8.230 nan 0.000 0.418 395 P HA 0.061 nan 4.420 nan 0.000 0.266 395 P C -0.227 177.086 177.300 0.022 0.000 1.195 395 P CA -0.170 62.966 63.100 0.059 0.000 0.768 395 P CB 0.420 32.157 31.700 0.062 0.000 0.838 396 L N 1.847 123.062 121.223 -0.013 0.000 2.516 396 L HA -0.046 4.294 4.340 -0.000 0.000 0.288 396 L C 1.367 178.235 176.870 -0.003 0.000 1.246 396 L CA 0.162 54.988 54.840 -0.024 0.000 0.844 396 L CB -0.248 41.779 42.059 -0.053 0.000 1.106 396 L HN 0.528 nan 8.230 nan 0.000 0.509 397 E N 0.931 121.130 120.200 -0.003 0.000 2.376 397 E HA 0.284 4.634 4.350 -0.000 0.000 0.266 397 E C 0.906 177.509 176.600 0.006 0.000 1.009 397 E CA 0.116 56.519 56.400 0.005 0.000 0.902 397 E CB 0.568 30.270 29.700 0.005 0.000 0.972 397 E HN 0.796 nan 8.360 nan 0.000 0.439 398 G N 2.765 111.572 108.800 0.011 0.000 2.199 398 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 398 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 398 G C 0.145 175.055 174.900 0.017 0.000 0.982 398 G CA 0.192 45.299 45.100 0.012 0.000 0.632 398 G HN 0.589 nan 8.290 nan 0.000 0.529 399 S N 1.065 116.777 115.700 0.020 0.000 2.616 399 S HA 0.596 5.066 4.470 -0.000 0.000 0.277 399 S C 0.480 175.107 174.600 0.045 0.000 1.234 399 S CA -0.128 58.090 58.200 0.030 0.000 1.028 399 S CB 1.426 64.642 63.200 0.027 0.000 0.988 399 S HN 0.850 nan 8.310 nan 0.000 0.522 400 N N 0.554 119.288 118.700 0.056 0.000 2.364 400 N HA 0.322 5.062 4.740 -0.000 0.000 0.264 400 N C 1.322 176.893 175.510 0.101 0.000 1.263 400 N CA -0.198 52.894 53.050 0.070 0.000 0.959 400 N CB -0.473 38.053 38.487 0.066 0.000 1.204 400 N HN 0.493 nan 8.380 nan 0.000 0.550 401 G N -0.477 108.396 108.800 0.122 0.000 2.402 401 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 401 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 401 G C 1.387 176.458 174.900 0.285 0.000 1.162 401 G CA 0.482 45.694 45.100 0.187 0.000 0.777 401 G HN 0.474 nan 8.290 nan 0.000 0.539 402 L N 1.691 123.034 121.223 0.200 0.000 2.081 402 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 402 L C 3.284 180.131 176.870 -0.039 0.000 1.080 402 L CA 1.527 56.392 54.840 0.043 0.000 0.754 402 L CB -0.477 41.570 42.059 -0.020 0.000 0.893 402 L HN 0.468 nan 8.230 nan 0.000 0.433 403 S N 0.130 115.880 115.700 0.083 0.000 2.440 403 S HA -0.200 4.270 4.470 -0.000 0.000 0.240 403 S C 1.828 176.488 174.600 0.100 0.000 1.014 403 S CA 1.036 59.313 58.200 0.128 0.000 0.980 403 S CB -0.682 62.584 63.200 0.111 0.000 0.775 403 S HN 0.457 nan 8.310 nan 0.000 0.499 404 L N 0.725 122.062 121.223 0.190 0.000 2.456 404 L HA -0.032 4.308 4.340 -0.000 0.000 0.224 404 L C 2.804 179.931 176.870 0.430 0.000 1.148 404 L CA 0.842 55.922 54.840 0.399 0.000 0.825 404 L CB -0.552 41.842 42.059 0.559 0.000 0.937 404 L HN 0.439 nan 8.230 nan 0.000 0.450 405 Q N -1.088 118.541 119.800 -0.285 0.000 2.364 405 Q HA -0.171 4.169 4.340 -0.000 0.000 0.209 405 Q C 1.082 176.876 176.000 -0.344 0.000 0.977 405 Q CA 1.374 56.711 55.803 -0.777 0.000 0.885 405 Q CB 0.139 27.890 28.738 -1.646 0.000 0.941 405 Q HN 0.580 nan 8.270 nan 0.000 0.464 406 Y N -1.654 118.754 120.300 0.179 0.000 2.452 406 Y HA 0.309 4.859 4.550 -0.000 0.000 0.262 406 Y C 0.098 175.846 175.900 -0.252 0.000 1.089 406 Y CA -0.460 57.682 58.100 0.070 0.000 1.262 406 Y CB 1.086 39.538 38.460 -0.015 0.000 1.236 406 Y HN -0.116 nan 8.280 nan 0.000 0.512 407 D N -1.800 118.323 120.400 -0.461 0.000 2.783 407 D HA 0.485 5.124 4.640 -0.000 0.000 0.253 407 D C -0.482 175.225 176.300 -0.989 0.000 1.206 407 D CA 0.413 53.713 54.000 -1.167 0.000 0.740 407 D CB 1.394 41.875 40.800 -0.532 0.000 1.313 407 D HN 0.249 nan 8.370 nan 0.000 0.427 408 G N 0.513 108.524 108.800 -1.315 0.000 2.427 408 G HA2 0.458 4.418 3.960 -0.000 0.000 0.306 408 G HA3 0.458 4.418 3.960 -0.000 0.000 0.306 408 G C -1.611 173.110 174.900 -0.297 0.000 1.280 408 G CA -0.588 44.201 45.100 -0.519 0.000 0.837 408 G HN 0.450 nan 8.290 nan 0.000 0.482 409 E N -0.213 119.993 120.200 0.009 0.000 2.171 409 E HA 0.533 4.883 4.350 -0.000 0.000 0.271 409 E C -0.644 176.066 176.600 0.183 0.000 0.916 409 E CA -0.706 55.740 56.400 0.077 0.000 0.774 409 E CB 1.440 31.167 29.700 0.045 0.000 1.128 409 E HN 0.338 nan 8.360 nan 0.000 0.403 410 I N 3.330 124.013 120.570 0.190 0.000 2.379 410 I HA 0.066 4.236 4.170 -0.000 0.000 0.290 410 I C 0.194 176.378 176.117 0.112 0.000 1.063 410 I CA 0.088 61.492 61.300 0.175 0.000 1.351 410 I CB 1.254 39.358 38.000 0.173 0.000 1.410 410 I HN 0.266 nan 8.210 nan 0.000 0.505 411 S N 4.980 120.733 115.700 0.088 0.000 2.530 411 S HA 0.404 4.874 4.470 -0.000 0.000 0.322 411 S C -0.029 174.599 174.600 0.046 0.000 1.085 411 S CA -0.735 57.509 58.200 0.074 0.000 1.096 411 S CB 0.748 63.987 63.200 0.065 0.000 0.988 411 S HN 0.700 nan 8.310 nan 0.000 0.466 412 T N 2.415 117.017 114.554 0.081 0.000 2.869 412 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 412 T C 0.626 175.373 174.700 0.079 0.000 0.987 412 T CA -0.455 61.666 62.100 0.034 0.000 1.109 412 T CB 0.704 69.656 68.868 0.140 0.000 0.932 412 T HN 0.691 nan 8.240 nan 0.000 0.518 413 T N 0.860 115.402 114.554 -0.020 0.000 2.881 413 T HA 0.415 4.765 4.350 -0.000 0.000 0.278 413 T C 1.160 175.941 174.700 0.135 0.000 0.982 413 T CA -1.103 61.025 62.100 0.048 0.000 0.989 413 T CB 1.006 69.870 68.868 -0.007 0.000 1.058 413 T HN 0.473 nan 8.240 nan 0.000 0.529 414 K N 0.447 120.966 120.400 0.198 0.000 2.283 414 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 414 K C 2.033 178.770 176.600 0.228 0.000 1.048 414 K CA 1.035 57.491 56.287 0.282 0.000 0.948 414 K CB -0.480 32.145 32.500 0.208 0.000 0.742 414 K HN 0.684 nan 8.250 nan 0.000 0.458 415 M N 0.339 120.036 119.600 0.163 0.000 2.374 415 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 415 M C 2.127 178.501 176.300 0.123 0.000 1.067 415 M CA 0.863 56.301 55.300 0.230 0.000 1.103 415 M CB -0.207 32.598 32.600 0.341 0.000 1.402 415 M HN 0.058 nan 8.290 nan 0.000 0.444 416 L N -0.713 120.423 121.223 -0.145 0.000 2.017 416 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 416 L C 1.933 178.606 176.870 -0.328 0.000 1.073 416 L CA 1.844 56.438 54.840 -0.410 0.000 0.745 416 L CB -0.175 41.401 42.059 -0.805 0.000 0.894 416 L HN 0.333 nan 8.230 nan 0.000 0.432 417 W N -0.310 121.021 121.300 0.052 0.000 2.418 417 W HA -0.144 4.516 4.660 -0.000 0.000 0.292 417 W C 2.803 179.365 176.519 0.072 0.000 1.213 417 W CA 1.230 58.600 57.345 0.042 0.000 1.283 417 W CB -0.794 28.684 29.460 0.031 0.000 1.119 417 W HN 0.264 nan 8.180 nan 0.000 0.542 418 T N -3.441 111.292 114.554 0.299 0.000 2.867 418 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 418 T C 1.550 176.394 174.700 0.240 0.000 1.057 418 T CA 1.751 63.995 62.100 0.240 0.000 1.136 418 T CB -0.950 68.054 68.868 0.227 0.000 0.874 418 T HN -0.039 nan 8.240 nan 0.000 0.466 419 T N 2.188 116.880 114.554 0.230 0.000 2.708 419 T HA 0.076 4.426 4.350 -0.000 0.000 0.266 419 T C 2.472 177.241 174.700 0.115 0.000 1.037 419 T CA 1.342 63.567 62.100 0.207 0.000 1.146 419 T CB -0.831 68.275 68.868 0.396 0.000 0.865 419 T HN 0.607 nan 8.240 nan 0.000 0.435 420 A N 2.209 125.086 122.820 0.096 0.000 1.933 420 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 420 A C 2.228 179.867 177.584 0.091 0.000 1.175 420 A CA 1.411 53.483 52.037 0.059 0.000 0.628 420 A CB -0.762 18.284 19.000 0.076 0.000 0.814 420 A HN 0.445 nan 8.150 nan 0.000 0.444 421 N N -1.089 117.696 118.700 0.141 0.000 2.089 421 N HA -0.262 4.478 4.740 -0.000 0.000 0.198 421 N C 1.604 177.101 175.510 -0.021 0.000 1.017 421 N CA 2.378 55.485 53.050 0.095 0.000 0.880 421 N CB -0.428 38.029 38.487 -0.050 0.000 1.042 421 N HN 0.708 nan 8.380 nan 0.000 0.446 422 Y N 0.724 120.962 120.300 -0.103 0.000 2.163 422 Y HA -0.085 4.465 4.550 -0.000 0.000 0.288 422 Y C 2.958 178.499 175.900 -0.599 0.000 1.112 422 Y CA 1.409 59.284 58.100 -0.375 0.000 1.104 422 Y CB -0.754 37.328 38.460 -0.629 0.000 1.016 422 Y HN 0.105 nan 8.280 nan 0.000 0.497 423 S N -0.278 115.057 115.700 -0.608 0.000 2.383 423 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 423 S C 1.948 176.380 174.600 -0.280 0.000 1.026 423 S CA 0.953 58.750 58.200 -0.672 0.000 0.981 423 S CB -1.261 61.704 63.200 -0.391 0.000 0.818 423 S HN 0.409 nan 8.310 nan 0.000 0.472 424 F N 0.930 120.643 119.950 -0.395 0.000 2.250 424 F HA 0.055 4.582 4.527 -0.000 0.000 0.301 424 F C 1.257 176.635 175.800 -0.704 0.000 1.077 424 F CA 1.282 58.921 58.000 -0.601 0.000 1.348 424 F CB -0.016 38.481 39.000 -0.838 0.000 1.040 424 F HN 0.208 nan 8.300 nan 0.000 0.509 425 F N -1.655 118.297 119.950 0.003 0.000 2.592 425 F HA 0.232 4.759 4.527 -0.000 0.000 0.280 425 F C 0.515 176.308 175.800 -0.012 0.000 1.083 425 F CA -0.138 57.872 58.000 0.016 0.000 1.365 425 F CB -0.344 38.682 39.000 0.043 0.000 1.100 425 F HN -0.505 nan 8.300 nan 0.000 0.633 426 V N 4.058 124.033 119.914 0.101 0.000 2.356 426 V HA 0.287 4.407 4.120 -0.000 0.000 0.258 426 V C 0.152 176.325 176.094 0.131 0.000 1.065 426 V CA -0.614 61.738 62.300 0.086 0.000 0.935 426 V CB -0.179 31.620 31.823 -0.040 0.000 1.061 426 V HN 0.048 nan 8.190 nan 0.000 0.484 427 R N 4.705 125.274 120.500 0.116 0.000 2.643 427 R HA 0.479 4.819 4.340 -0.000 0.000 0.272 427 R C -2.668 173.696 176.300 0.107 0.000 0.995 427 R CA -2.354 53.797 56.100 0.085 0.000 1.032 427 R CB 1.032 31.356 30.300 0.041 0.000 1.126 427 R HN 0.307 nan 8.270 nan 0.000 0.505 428 P HA 0.031 nan 4.420 nan 0.000 0.264 428 P C 0.675 178.029 177.300 0.089 0.000 1.193 428 P CA 0.891 64.040 63.100 0.082 0.000 0.763 428 P CB 0.472 32.211 31.700 0.065 0.000 0.810 429 G N 1.999 110.862 108.800 0.106 0.000 2.279 429 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.223 429 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.223 429 G C 0.377 175.349 174.900 0.120 0.000 1.015 429 G CA -0.225 44.938 45.100 0.105 0.000 0.621 429 G HN 0.453 nan 8.290 nan 0.000 0.506 430 M N 0.643 120.325 119.600 0.137 0.000 2.228 430 M HA 0.363 4.843 4.480 -0.000 0.000 0.303 430 M C 0.582 177.002 176.300 0.199 0.000 1.099 430 M CA 0.934 56.337 55.300 0.171 0.000 1.171 430 M CB 0.351 33.078 32.600 0.211 0.000 1.412 430 M HN 0.208 nan 8.290 nan 0.000 0.447 431 K N 0.571 121.100 120.400 0.213 0.000 2.318 431 K HA 0.425 4.745 4.320 -0.000 0.000 0.249 431 K C -0.792 175.972 176.600 0.273 0.000 0.942 431 K CA -0.884 55.538 56.287 0.225 0.000 0.808 431 K CB 2.098 34.684 32.500 0.144 0.000 1.189 431 K HN 0.480 nan 8.250 nan 0.000 0.428 432 R N 3.232 123.913 120.500 0.302 0.000 2.537 432 R HA 0.201 4.541 4.340 -0.000 0.000 0.280 432 R C -0.281 176.099 176.300 0.133 0.000 1.058 432 R CA 0.041 56.203 56.100 0.102 0.000 1.057 432 R CB 0.128 30.506 30.300 0.130 0.000 0.973 432 R HN 0.640 nan 8.270 nan 0.000 0.438 433 I N 0.400 120.983 120.570 0.021 0.000 2.892 433 I HA 0.610 4.780 4.170 -0.000 0.000 0.306 433 I C -0.419 175.782 176.117 0.139 0.000 1.078 433 I CA -1.422 59.909 61.300 0.052 0.000 1.032 433 I CB 2.075 40.071 38.000 -0.007 0.000 1.229 433 I HN 0.633 nan 8.210 nan 0.000 0.435 434 A N 4.499 127.428 122.820 0.183 0.000 2.498 434 A HA 0.533 4.853 4.320 -0.000 0.000 0.239 434 A C -0.408 177.243 177.584 0.113 0.000 1.068 434 A CA -0.002 52.185 52.037 0.251 0.000 0.766 434 A CB 0.223 19.358 19.000 0.224 0.000 1.003 434 A HN 0.810 nan 8.150 nan 0.000 0.497 435 I N 0.762 121.398 120.570 0.111 0.000 2.529 435 I HA 0.626 4.796 4.170 -0.000 0.000 0.284 435 I C -0.171 176.058 176.117 0.186 0.000 1.088 435 I CA -0.250 61.122 61.300 0.120 0.000 1.062 435 I CB 1.370 39.409 38.000 0.066 0.000 1.218 435 I HN 0.725 nan 8.210 nan 0.000 0.442 436 K N 8.662 129.181 120.400 0.198 0.000 2.323 436 K HA 0.770 5.090 4.320 -0.000 0.000 0.259 436 K C -3.128 173.566 176.600 0.156 0.000 0.947 436 K CA -1.671 54.722 56.287 0.177 0.000 0.819 436 K CB 1.181 33.741 32.500 0.101 0.000 1.109 436 K HN 0.467 nan 8.250 nan 0.000 0.429 437 P HA 0.118 nan 4.420 nan 0.000 0.274 437 P C 0.749 177.934 177.300 -0.193 0.000 1.237 437 P CA 0.139 63.045 63.100 -0.324 0.000 0.793 437 P CB 1.179 32.666 31.700 -0.354 0.000 0.977 438 T N -3.418 110.984 114.554 -0.253 0.000 2.951 438 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 438 T C 1.124 175.757 174.700 -0.111 0.000 1.073 438 T CA 0.827 62.842 62.100 -0.142 0.000 1.134 438 T CB -1.316 67.472 68.868 -0.133 0.000 0.884 438 T HN 0.471 nan 8.240 nan 0.000 0.479 439 Y N 0.664 120.882 120.300 -0.138 0.000 2.326 439 Y HA 0.741 5.291 4.550 -0.000 0.000 0.337 439 Y C 0.642 176.509 175.900 -0.054 0.000 1.023 439 Y CA -2.011 56.039 58.100 -0.083 0.000 1.143 439 Y CB -0.241 38.171 38.460 -0.080 0.000 1.183 439 Y HN 0.574 nan 8.280 nan 0.000 0.485 440 K N 1.996 122.380 120.400 -0.026 0.000 2.395 440 K HA 0.604 4.924 4.320 -0.000 0.000 0.283 440 K C -0.267 176.335 176.600 0.004 0.000 1.068 440 K CA 0.637 56.921 56.287 -0.005 0.000 1.039 440 K CB -1.020 31.480 32.500 -0.001 0.000 0.924 440 K HN 2.239 nan 8.250 nan 0.000 0.468 441 I N 1.546 122.129 120.570 0.020 0.000 2.460 441 I HA 0.699 4.869 4.170 -0.000 0.000 0.298 441 I C 0.794 176.928 176.117 0.028 0.000 0.989 441 I CA -0.490 60.827 61.300 0.029 0.000 1.173 441 I CB 1.080 39.111 38.000 0.051 0.000 1.338 441 I HN 0.960 nan 8.210 nan 0.000 0.456 442 S N 2.826 118.536 115.700 0.017 0.000 2.592 442 S HA 0.215 4.685 4.470 -0.000 0.000 0.271 442 S C 0.602 175.208 174.600 0.010 0.000 1.326 442 S CA 0.180 58.386 58.200 0.010 0.000 1.024 442 S CB 0.811 64.011 63.200 0.000 0.000 0.921 442 S HN 0.752 nan 8.310 nan 0.000 0.527 443 D N 0.884 121.286 120.400 0.003 0.000 2.154 443 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 443 D C 1.782 178.073 176.300 -0.015 0.000 1.003 443 D CA 1.355 55.354 54.000 -0.001 0.000 0.849 443 D CB -0.464 40.325 40.800 -0.019 0.000 0.942 443 D HN 0.491 nan 8.370 nan 0.000 0.446 444 L N 1.212 122.421 121.223 -0.023 0.000 2.079 444 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 444 L C 2.473 179.326 176.870 -0.029 0.000 1.081 444 L CA 2.670 57.489 54.840 -0.035 0.000 0.752 444 L CB -1.000 41.040 42.059 -0.033 0.000 0.896 444 L HN 0.147 nan 8.230 nan 0.000 0.433 445 E N -0.480 119.714 120.200 -0.011 0.000 2.047 445 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 445 E C 2.240 178.840 176.600 0.001 0.000 0.987 445 E CA 1.410 57.810 56.400 0.000 0.000 0.799 445 E CB -1.258 28.449 29.700 0.011 0.000 0.752 445 E HN 0.717 nan 8.360 nan 0.000 0.449 446 A N 0.910 123.731 122.820 0.001 0.000 1.972 446 A HA 0.262 4.582 4.320 -0.000 0.000 0.219 446 A C 2.787 180.328 177.584 -0.071 0.000 1.169 446 A CA 2.133 54.165 52.037 -0.008 0.000 0.635 446 A CB -0.663 18.346 19.000 0.015 0.000 0.810 446 A HN 1.054 nan 8.150 nan 0.000 0.446 447 A N -0.501 122.262 122.820 -0.095 0.000 2.131 447 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 447 A C 2.020 179.427 177.584 -0.295 0.000 1.158 447 A CA 2.200 54.118 52.037 -0.199 0.000 0.665 447 A CB -0.808 18.094 19.000 -0.163 0.000 0.795 447 A HN 0.838 nan 8.150 nan 0.000 0.460 448 T N -4.607 109.879 114.554 -0.114 0.000 3.043 448 T HA 0.272 4.622 4.350 -0.000 0.000 0.272 448 T C 1.207 176.002 174.700 0.160 0.000 0.990 448 T CA 0.787 62.902 62.100 0.025 0.000 0.897 448 T CB 0.073 68.980 68.868 0.064 0.000 1.111 448 T HN 0.550 nan 8.240 nan 0.000 0.529 449 S N 0.919 116.673 115.700 0.090 0.000 3.597 449 S HA 0.622 5.092 4.470 -0.000 0.000 0.206 449 S C -0.356 174.304 174.600 0.101 0.000 0.948 449 S CA -0.309 57.956 58.200 0.108 0.000 0.863 449 S CB 0.120 63.363 63.200 0.072 0.000 1.015 449 S HN 0.370 nan 8.310 nan 0.000 0.616 450 L N 1.064 122.314 121.223 0.045 0.000 2.505 450 L HA 0.743 5.083 4.340 -0.000 0.000 0.266 450 L C -1.900 174.924 176.870 -0.076 0.000 0.954 450 L CA -0.471 54.377 54.840 0.012 0.000 0.852 450 L CB 1.919 44.019 42.059 0.068 0.000 1.282 450 L HN 0.560 nan 8.230 nan 0.000 0.403 451 M N 6.449 125.928 119.600 -0.201 0.000 2.393 451 M HA 0.662 5.142 4.480 -0.000 0.000 0.299 451 M C -1.265 174.803 176.300 -0.387 0.000 1.103 451 M CA -0.494 54.529 55.300 -0.461 0.000 0.910 451 M CB 2.494 34.529 32.600 -0.943 0.000 1.659 451 M HN 0.681 nan 8.290 nan 0.000 0.445 452 I N 1.803 122.245 120.570 -0.215 0.000 2.841 452 I HA 0.791 4.961 4.170 -0.000 0.000 0.298 452 I C -1.497 174.692 176.117 0.120 0.000 1.304 452 I CA -0.041 61.193 61.300 -0.111 0.000 1.019 452 I CB 2.135 39.871 38.000 -0.440 0.000 1.282 452 I HN 0.866 nan 8.210 nan 0.000 0.432 453 S N 3.514 119.282 115.700 0.114 0.000 2.565 453 S HA 0.784 5.254 4.470 -0.000 0.000 0.269 453 S C -1.269 173.308 174.600 -0.038 0.000 1.153 453 S CA -0.710 57.517 58.200 0.046 0.000 0.835 453 S CB 1.803 65.085 63.200 0.136 0.000 1.122 453 S HN 0.662 nan 8.310 nan 0.000 0.462 454 S N 0.408 115.897 115.700 -0.352 0.000 2.569 454 S HA 0.866 5.336 4.470 -0.000 0.000 0.280 454 S C -1.883 172.317 174.600 -0.667 0.000 1.111 454 S CA -0.645 57.397 58.200 -0.263 0.000 0.887 454 S CB 0.969 64.122 63.200 -0.079 0.000 1.095 454 S HN 0.701 nan 8.310 nan 0.000 0.476 455 Y N -0.231 120.145 120.300 0.127 0.000 2.571 455 Y HA 0.737 5.287 4.550 -0.000 0.000 0.341 455 Y C 0.134 176.104 175.900 0.117 0.000 1.076 455 Y CA -0.773 57.411 58.100 0.140 0.000 1.029 455 Y CB 2.370 40.935 38.460 0.175 0.000 1.308 455 Y HN 0.629 nan 8.280 nan 0.000 0.461 456 T N 0.186 114.882 114.554 0.237 0.000 2.889 456 T HA 0.261 4.611 4.350 -0.000 0.000 0.315 456 T C -0.876 173.913 174.700 0.149 0.000 1.291 456 T CA -0.657 61.543 62.100 0.167 0.000 1.028 456 T CB 1.008 69.942 68.868 0.110 0.000 1.235 456 T HN 0.776 nan 8.240 nan 0.000 0.491 457 D N 0.834 121.309 120.400 0.125 0.000 2.369 457 D HA 0.277 4.917 4.640 -0.000 0.000 0.211 457 D C 1.449 177.797 176.300 0.079 0.000 1.077 457 D CA 0.702 54.763 54.000 0.102 0.000 0.842 457 D CB -0.037 40.820 40.800 0.096 0.000 0.947 457 D HN 1.107 nan 8.370 nan 0.000 0.509 458 G N -0.390 108.455 108.800 0.076 0.000 2.175 458 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 458 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 458 G C 1.099 176.033 174.900 0.057 0.000 0.982 458 G CA 0.771 45.906 45.100 0.059 0.000 0.641 458 G HN 0.821 nan 8.290 nan 0.000 0.527 459 K N -0.522 119.918 120.400 0.066 0.000 2.412 459 K HA 0.647 4.967 4.320 -0.000 0.000 0.201 459 K C 0.777 177.421 176.600 0.073 0.000 1.275 459 K CA 1.346 57.671 56.287 0.063 0.000 0.910 459 K CB 0.276 32.813 32.500 0.062 0.000 1.346 459 K HN 0.498 nan 8.250 nan 0.000 0.490 460 E N 0.072 120.326 120.200 0.091 0.000 2.207 460 E HA 0.567 4.917 4.350 -0.000 0.000 0.270 460 E C -1.551 175.115 176.600 0.109 0.000 0.927 460 E CA -0.946 55.516 56.400 0.104 0.000 0.799 460 E CB 2.282 32.060 29.700 0.130 0.000 1.172 460 E HN 0.093 nan 8.360 nan 0.000 0.404 461 V N 3.454 123.428 119.914 0.101 0.000 2.444 461 V HA 0.314 4.434 4.120 -0.000 0.000 0.294 461 V C -0.560 175.600 176.094 0.109 0.000 1.022 461 V CA -0.789 61.574 62.300 0.105 0.000 0.850 461 V CB 1.605 33.474 31.823 0.077 0.000 0.992 461 V HN 0.400 nan 8.190 nan 0.000 0.426 462 V N 4.013 124.020 119.914 0.154 0.000 2.417 462 V HA 0.590 4.710 4.120 -0.000 0.000 0.291 462 V C 0.137 176.337 176.094 0.177 0.000 1.024 462 V CA -0.166 62.224 62.300 0.151 0.000 0.861 462 V CB 2.106 34.057 31.823 0.213 0.000 0.985 462 V HN 0.948 nan 8.190 nan 0.000 0.436 463 T N 4.297 118.899 114.554 0.079 0.000 2.848 463 T HA 0.618 4.968 4.350 -0.000 0.000 0.285 463 T C -0.609 174.085 174.700 -0.009 0.000 0.995 463 T CA -0.438 61.695 62.100 0.055 0.000 0.970 463 T CB 1.731 70.599 68.868 0.000 0.000 0.976 463 T HN 0.327 nan 8.240 nan 0.000 0.441 464 V N 2.380 122.297 119.914 0.004 0.000 2.444 464 V HA 0.828 4.948 4.120 -0.000 0.000 0.294 464 V C -0.154 175.880 176.094 -0.101 0.000 1.022 464 V CA -0.888 61.328 62.300 -0.141 0.000 0.850 464 V CB 1.421 32.966 31.823 -0.462 0.000 0.992 464 V HN 1.087 nan 8.190 nan 0.000 0.426 465 A N 6.086 128.827 122.820 -0.132 0.000 2.330 465 A HA 0.898 5.218 4.320 -0.000 0.000 0.313 465 A C -0.806 176.722 177.584 -0.092 0.000 1.124 465 A CA -0.506 51.451 52.037 -0.133 0.000 0.774 465 A CB 0.825 19.729 19.000 -0.160 0.000 1.198 465 A HN 0.787 nan 8.150 nan 0.000 0.465 466 I N 2.551 123.069 120.570 -0.086 0.000 2.339 466 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 466 I C 0.029 176.150 176.117 0.006 0.000 0.994 466 I CA -0.575 60.717 61.300 -0.014 0.000 1.191 466 I CB 1.493 39.508 38.000 0.025 0.000 1.343 466 I HN 0.613 nan 8.210 nan 0.000 0.458 467 N N 5.425 124.144 118.700 0.032 0.000 2.645 467 N HA 0.057 4.797 4.740 -0.000 0.000 0.233 467 N C 0.236 175.800 175.510 0.090 0.000 1.058 467 N CA -0.029 53.050 53.050 0.049 0.000 0.942 467 N CB 0.238 38.738 38.487 0.021 0.000 1.210 467 N HN 0.483 nan 8.380 nan 0.000 0.512 468 Y N 1.924 122.219 120.300 -0.008 0.000 2.516 468 Y HA 0.037 4.587 4.550 -0.000 0.000 0.291 468 Y C 1.264 177.181 175.900 0.027 0.000 1.131 468 Y CA 0.381 58.489 58.100 0.015 0.000 1.281 468 Y CB 0.106 38.572 38.460 0.009 0.000 1.013 468 Y HN 0.462 nan 8.280 nan 0.000 0.554 469 S N -0.197 115.568 115.700 0.107 0.000 2.603 469 S HA 0.087 4.557 4.470 -0.000 0.000 0.268 469 S C 0.858 175.461 174.600 0.006 0.000 1.317 469 S CA -0.685 57.553 58.200 0.062 0.000 1.012 469 S CB 1.273 64.514 63.200 0.069 0.000 0.926 469 S HN 0.339 nan 8.310 nan 0.000 0.539 470 K N 0.863 121.266 120.400 0.006 0.000 2.555 470 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 470 K C 0.710 177.312 176.600 0.003 0.000 1.032 470 K CA 0.896 57.180 56.287 -0.005 0.000 1.004 470 K CB -0.434 32.067 32.500 0.001 0.000 0.804 470 K HN 0.836 nan 8.250 nan 0.000 0.496 471 E N 1.496 121.703 120.200 0.012 0.000 2.210 471 E HA 0.214 4.564 4.350 -0.000 0.000 0.266 471 E C -0.817 175.791 176.600 0.012 0.000 0.883 471 E CA -1.026 55.382 56.400 0.012 0.000 0.761 471 E CB 0.512 30.223 29.700 0.019 0.000 1.156 471 E HN 0.140 nan 8.360 nan 0.000 0.412 472 N N 1.525 120.229 118.700 0.006 0.000 2.374 472 N HA 0.237 4.977 4.740 -0.000 0.000 0.241 472 N C -0.174 175.344 175.510 0.014 0.000 1.262 472 N CA 0.272 53.325 53.050 0.005 0.000 0.880 472 N CB 1.033 39.519 38.487 -0.001 0.000 1.105 472 N HN 0.656 nan 8.380 nan 0.000 0.438 473 Q N 0.300 120.110 119.800 0.017 0.000 2.289 473 Q HA 0.441 4.781 4.340 -0.000 0.000 0.270 473 Q C -1.876 174.143 176.000 0.031 0.000 1.038 473 Q CA -0.668 55.154 55.803 0.032 0.000 0.812 473 Q CB 1.537 30.304 28.738 0.049 0.000 1.300 473 Q HN 0.317 nan 8.270 nan 0.000 0.427 474 V N 5.416 125.351 119.914 0.035 0.000 2.472 474 V HA 0.670 4.790 4.120 -0.000 0.000 0.290 474 V C 0.076 176.210 176.094 0.066 0.000 1.037 474 V CA -0.569 61.752 62.300 0.035 0.000 0.908 474 V CB 1.143 32.977 31.823 0.019 0.000 0.985 474 V HN 0.826 nan 8.190 nan 0.000 0.454 475 I N 0.498 121.115 120.570 0.078 0.000 2.730 475 I HA 0.959 5.129 4.170 -0.000 0.000 0.298 475 I C -0.056 176.124 176.117 0.105 0.000 1.089 475 I CA -0.650 60.734 61.300 0.140 0.000 1.041 475 I CB 2.231 40.364 38.000 0.221 0.000 1.235 475 I HN 0.608 nan 8.210 nan 0.000 0.423 476 S N 5.171 120.943 115.700 0.119 0.000 2.438 476 S HA 0.693 5.162 4.470 -0.000 0.000 0.316 476 S C -0.683 173.993 174.600 0.126 0.000 1.084 476 S CA -0.528 57.722 58.200 0.084 0.000 1.107 476 S CB 0.808 64.035 63.200 0.046 0.000 0.981 476 S HN 0.576 nan 8.310 nan 0.000 0.466 477 L N 3.191 124.470 121.223 0.095 0.000 2.278 477 L HA 0.347 4.687 4.340 -0.000 0.000 0.287 477 L C 0.034 176.949 176.870 0.075 0.000 1.072 477 L CA -0.183 54.716 54.840 0.098 0.000 0.819 477 L CB 0.623 42.716 42.059 0.057 0.000 1.176 477 L HN 0.783 nan 8.230 nan 0.000 0.435 478 N N 3.363 122.116 118.700 0.087 0.000 2.527 478 N HA 0.299 5.039 4.740 -0.000 0.000 0.236 478 N C -1.342 174.201 175.510 0.055 0.000 0.999 478 N CA -0.292 52.794 53.050 0.060 0.000 0.935 478 N CB 0.467 38.986 38.487 0.053 0.000 1.132 478 N HN 0.608 nan 8.380 nan 0.000 0.511 479 C N 4.029 123.355 119.300 0.043 0.000 2.978 479 C HA 0.595 5.055 4.460 -0.000 0.000 0.274 479 C C 0.842 175.851 174.990 0.032 0.000 1.087 479 C CA 0.697 59.739 59.018 0.040 0.000 1.453 479 C CB -1.474 26.291 27.740 0.041 0.000 1.838 479 C HN 1.004 nan 8.230 nan 0.000 0.470 480 D N 1.167 121.584 120.400 0.029 0.000 3.771 480 D HA -0.325 4.315 4.640 -0.000 0.000 0.145 480 D C 0.796 177.108 176.300 0.021 0.000 0.892 480 D CA 2.016 56.030 54.000 0.023 0.000 1.080 480 D CB -1.630 39.184 40.800 0.023 0.000 0.498 480 D HN 2.003 nan 8.370 nan 0.000 0.499 481 H N -0.449 118.633 119.070 0.020 0.000 2.487 481 H HA 0.807 5.363 4.556 -0.000 0.000 0.290 481 H C 1.160 176.499 175.328 0.018 0.000 1.081 481 H CA 1.425 57.483 56.048 0.017 0.000 1.116 481 H CB -0.340 29.430 29.762 0.015 0.000 1.560 481 H HN 1.649 nan 8.280 nan 0.000 0.548 482 A N -0.224 122.609 122.820 0.021 0.000 2.354 482 A HA 0.600 4.920 4.320 -0.000 0.000 0.269 482 A C 1.251 178.846 177.584 0.018 0.000 1.109 482 A CA 0.462 52.512 52.037 0.021 0.000 0.800 482 A CB 0.176 19.191 19.000 0.026 0.000 1.045 482 A HN 0.952 nan 8.150 nan 0.000 0.489 483 Q N 1.317 121.126 119.800 0.015 0.000 2.369 483 Q HA 0.260 4.600 4.340 -0.000 0.000 0.254 483 Q C 0.611 176.615 176.000 0.007 0.000 0.858 483 Q CA 1.282 57.092 55.803 0.011 0.000 0.961 483 Q CB -0.153 28.589 28.738 0.008 0.000 1.119 483 Q HN 0.939 nan 8.270 nan 0.000 0.538 484 K N -1.903 118.502 120.400 0.008 0.000 2.444 484 K HA 0.823 5.143 4.320 -0.000 0.000 0.252 484 K C -0.323 176.282 176.600 0.008 0.000 0.993 484 K CA -0.639 55.650 56.287 0.003 0.000 0.847 484 K CB 2.209 34.709 32.500 -0.001 0.000 1.340 484 K HN 0.288 nan 8.250 nan 0.000 0.446 485 G N 1.026 109.826 108.800 -0.000 0.000 2.698 485 G HA2 0.342 4.302 3.960 -0.000 0.000 0.293 485 G HA3 0.342 4.302 3.960 -0.000 0.000 0.293 485 G C -1.613 173.284 174.900 -0.005 0.000 1.437 485 G CA -0.987 44.118 45.100 0.008 0.000 0.852 485 G HN 0.417 nan 8.290 nan 0.000 0.499 486 K N 0.096 120.512 120.400 0.027 0.000 2.218 486 K HA 0.563 4.883 4.320 -0.000 0.000 0.276 486 K C -0.659 175.872 176.600 -0.116 0.000 1.022 486 K CA -0.494 55.802 56.287 0.015 0.000 0.946 486 K CB 2.139 34.719 32.500 0.132 0.000 1.000 486 K HN 0.186 nan 8.250 nan 0.000 0.468 487 V N 3.605 123.336 119.914 -0.305 0.000 2.540 487 V HA 0.363 4.483 4.120 -0.000 0.000 0.302 487 V C -1.321 174.495 176.094 -0.463 0.000 1.035 487 V CA -0.919 61.214 62.300 -0.278 0.000 0.873 487 V CB 0.949 32.652 31.823 -0.200 0.000 0.992 487 V HN 0.605 nan 8.190 nan 0.000 0.428 488 Y N 4.713 125.014 120.300 0.001 0.000 2.373 488 Y HA 0.776 5.326 4.550 -0.000 0.000 0.336 488 Y C -0.531 175.374 175.900 0.008 0.000 0.979 488 Y CA -0.764 57.374 58.100 0.065 0.000 1.080 488 Y CB 2.086 40.625 38.460 0.131 0.000 1.190 488 Y HN 0.536 nan 8.280 nan 0.000 0.446 489 L N 2.622 123.919 121.223 0.124 0.000 2.436 489 L HA 0.747 5.087 4.340 -0.000 0.000 0.268 489 L C -0.889 175.997 176.870 0.028 0.000 0.974 489 L CA -0.127 54.739 54.840 0.044 0.000 0.826 489 L CB 2.315 44.364 42.059 -0.017 0.000 1.291 489 L HN 0.625 nan 8.230 nan 0.000 0.406 490 T N 2.986 117.563 114.554 0.039 0.000 2.807 490 T HA 0.800 5.150 4.350 -0.000 0.000 0.279 490 T C -0.287 174.429 174.700 0.027 0.000 0.993 490 T CA -0.231 61.891 62.100 0.037 0.000 0.970 490 T CB 1.385 70.323 68.868 0.118 0.000 0.950 490 T HN 0.830 nan 8.240 nan 0.000 0.441 491 T N -0.590 113.968 114.554 0.007 0.000 2.647 491 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 491 T C 1.178 175.883 174.700 0.008 0.000 1.126 491 T CA -0.861 61.242 62.100 0.005 0.000 1.040 491 T CB 0.574 69.434 68.868 -0.013 0.000 1.472 491 T HN 0.372 nan 8.240 nan 0.000 0.500 492 I N 0.350 120.922 120.570 0.004 0.000 2.623 492 I HA -0.149 4.021 4.170 -0.000 0.000 0.261 492 I C 0.579 176.694 176.117 -0.003 0.000 1.204 492 I CA 1.831 63.136 61.300 0.007 0.000 1.444 492 I CB -0.054 37.946 38.000 0.001 0.000 1.094 492 I HN 0.540 nan 8.210 nan 0.000 0.451 493 D N -0.165 120.224 120.400 -0.020 0.000 2.489 493 D HA 0.194 4.834 4.640 -0.000 0.000 0.231 493 D C -0.083 176.180 176.300 -0.062 0.000 1.114 493 D CA 0.332 54.312 54.000 -0.034 0.000 0.842 493 D CB 0.547 41.327 40.800 -0.034 0.000 1.133 493 D HN 0.211 nan 8.370 nan 0.000 0.506 494 K N 1.102 121.457 120.400 -0.075 0.000 2.471 494 K HA 0.378 4.698 4.320 -0.000 0.000 0.252 494 K C -0.979 175.496 176.600 -0.208 0.000 0.938 494 K CA -0.701 55.511 56.287 -0.126 0.000 0.796 494 K CB 1.817 34.264 32.500 -0.089 0.000 1.161 494 K HN -0.254 nan 8.250 nan 0.000 0.425 495 N N 3.413 121.864 118.700 -0.415 0.000 2.558 495 N HA 0.084 4.824 4.740 -0.000 0.000 0.233 495 N C -0.264 174.778 175.510 -0.779 0.000 1.038 495 N CA -0.467 52.031 53.050 -0.920 0.000 0.934 495 N CB 0.539 38.058 38.487 -1.613 0.000 1.175 495 N HN 0.542 nan 8.380 nan 0.000 0.512 496 L N 0.746 121.786 121.223 -0.304 0.000 4.035 496 L HA -0.328 4.012 4.340 -0.000 0.000 0.490 496 L C 0.463 177.322 176.870 -0.018 0.000 1.163 496 L CA 0.837 55.654 54.840 -0.039 0.000 0.680 496 L CB -1.050 41.088 42.059 0.131 0.000 1.409 496 L HN 0.617 nan 8.230 nan 0.000 0.786 497 R N 2.458 122.943 120.500 -0.025 0.000 2.390 497 R HA 0.352 4.692 4.340 -0.000 0.000 0.291 497 R C -0.368 176.007 176.300 0.125 0.000 1.070 497 R CA 0.009 56.118 56.100 0.015 0.000 1.014 497 R CB 0.280 30.546 30.300 -0.056 0.000 1.007 497 R HN 0.417 nan 8.270 nan 0.000 0.466 498 Y N 2.991 123.304 120.300 0.022 0.000 2.465 498 Y HA 0.182 4.732 4.550 -0.000 0.000 0.331 498 Y C 0.635 176.426 175.900 -0.181 0.000 1.102 498 Y CA -0.641 57.373 58.100 -0.143 0.000 1.358 498 Y CB 1.185 39.605 38.460 -0.067 0.000 1.213 498 Y HN 0.592 nan 8.280 nan 0.000 0.525 499 M N 5.685 124.871 119.600 -0.690 0.000 2.475 499 M HA 0.275 4.755 4.480 -0.000 0.000 0.283 499 M C 0.845 176.651 176.300 -0.823 0.000 1.165 499 M CA 0.521 55.464 55.300 -0.594 0.000 0.976 499 M CB -1.019 31.380 32.600 -0.335 0.000 1.428 499 M HN 0.890 nan 8.290 nan 0.000 0.495 500 G N 1.739 109.513 108.800 -1.710 0.000 2.855 500 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.352 500 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.352 500 G C -0.654 173.944 174.900 -0.503 0.000 1.415 500 G CA -0.766 43.649 45.100 -1.141 0.000 0.871 500 G HN 0.491 nan 8.290 nan 0.000 0.543 501 E N 0.158 120.261 120.200 -0.161 0.000 2.384 501 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 501 E C 0.331 176.870 176.600 -0.101 0.000 1.012 501 E CA 0.470 56.830 56.400 -0.066 0.000 0.901 501 E CB 0.776 30.474 29.700 -0.002 0.000 0.967 501 E HN 0.518 nan 8.360 nan 0.000 0.435 502 Q N 2.693 122.445 119.800 -0.080 0.000 2.359 502 Q HA 0.308 4.647 4.340 -0.000 0.000 0.274 502 Q C -2.592 173.382 176.000 -0.044 0.000 1.074 502 Q CA -2.224 53.532 55.803 -0.078 0.000 0.810 502 Q CB 2.067 30.744 28.738 -0.101 0.000 1.342 502 Q HN 0.226 nan 8.270 nan 0.000 0.427 503 P HA 0.032 nan 4.420 nan 0.000 0.276 503 P C 0.256 177.549 177.300 -0.012 0.000 1.253 503 P CA 0.228 63.316 63.100 -0.020 0.000 0.766 503 P CB 0.688 32.377 31.700 -0.018 0.000 0.845 504 L N 2.675 123.897 121.223 -0.002 0.000 2.079 504 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 504 L C 2.789 179.670 176.870 0.017 0.000 1.081 504 L CA 2.594 57.439 54.840 0.009 0.000 0.752 504 L CB -1.353 40.716 42.059 0.017 0.000 0.896 504 L HN 0.356 nan 8.230 nan 0.000 0.433 505 K N 0.855 121.263 120.400 0.013 0.000 2.209 505 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 505 K C 1.277 177.885 176.600 0.014 0.000 1.048 505 K CA 1.859 58.155 56.287 0.015 0.000 0.940 505 K CB -0.854 31.651 32.500 0.008 0.000 0.729 505 K HN 0.432 nan 8.250 nan 0.000 0.451 506 K N 0.695 121.099 120.400 0.006 0.000 2.675 506 K HA 0.664 4.984 4.320 -0.000 0.000 0.224 506 K C -0.917 175.681 176.600 -0.005 0.000 1.003 506 K CA -0.506 55.783 56.287 0.003 0.000 1.034 506 K CB 0.175 32.672 32.500 -0.005 0.000 1.218 506 K HN 0.277 nan 8.250 nan 0.000 0.507 507 L N 2.082 123.307 121.223 0.004 0.000 2.305 507 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 507 L C 0.833 177.699 176.870 -0.008 0.000 1.013 507 L CA -1.111 53.723 54.840 -0.010 0.000 0.819 507 L CB 2.074 44.128 42.059 -0.009 0.000 1.227 507 L HN 0.799 nan 8.230 nan 0.000 0.417 508 Q N 5.506 125.292 119.800 -0.024 0.000 2.361 508 Q HA 0.496 4.836 4.340 -0.000 0.000 0.250 508 Q C -0.701 175.284 176.000 -0.024 0.000 1.023 508 Q CA -0.181 55.609 55.803 -0.022 0.000 0.915 508 Q CB 0.505 29.224 28.738 -0.032 0.000 1.238 508 Q HN 0.639 nan 8.270 nan 0.000 0.451 509 L N 4.978 126.194 121.223 -0.011 0.000 2.272 509 L HA 0.358 4.698 4.340 -0.000 0.000 0.284 509 L C -2.345 174.520 176.870 -0.009 0.000 1.045 509 L CA -2.000 52.832 54.840 -0.013 0.000 0.842 509 L CB 1.563 43.617 42.059 -0.008 0.000 1.224 509 L HN 0.487 nan 8.230 nan 0.000 0.430 510 P HA 0.027 nan 4.420 nan 0.000 0.270 510 P C -0.205 177.090 177.300 -0.009 0.000 1.223 510 P CA -0.309 62.783 63.100 -0.014 0.000 0.785 510 P CB 0.632 32.320 31.700 -0.021 0.000 0.923 511 A N 3.099 125.914 122.820 -0.009 0.000 2.567 511 A HA -0.004 4.316 4.320 -0.000 0.000 0.240 511 A C 0.430 178.002 177.584 -0.020 0.000 1.053 511 A CA 0.152 52.183 52.037 -0.010 0.000 0.755 511 A CB -0.891 18.102 19.000 -0.011 0.000 0.978 511 A HN 0.642 nan 8.150 nan 0.000 0.507 512 R N -0.078 120.404 120.500 -0.030 0.000 3.146 512 R HA -0.157 4.183 4.340 -0.000 0.000 0.250 512 R C -0.038 176.248 176.300 -0.024 0.000 0.912 512 R CA 0.940 57.006 56.100 -0.056 0.000 0.633 512 R CB -2.143 28.101 30.300 -0.093 0.000 1.180 512 R HN 1.331 nan 8.270 nan 0.000 0.464 513 S N -1.796 113.902 115.700 -0.003 0.000 2.618 513 S HA 0.793 5.263 4.470 -0.000 0.000 0.277 513 S C -0.328 174.286 174.600 0.023 0.000 1.138 513 S CA -0.953 57.253 58.200 0.010 0.000 0.844 513 S CB 3.006 66.205 63.200 -0.003 0.000 1.127 513 S HN 0.038 nan 8.310 nan 0.000 0.474 514 V N 0.763 120.695 119.914 0.029 0.000 2.604 514 V HA 0.903 5.023 4.120 -0.000 0.000 0.305 514 V C 0.006 176.096 176.094 -0.006 0.000 1.043 514 V CA -0.387 61.921 62.300 0.013 0.000 0.888 514 V CB 1.226 33.072 31.823 0.038 0.000 0.995 514 V HN 1.345 nan 8.190 nan 0.000 0.429 515 A N 2.659 125.454 122.820 -0.042 0.000 2.371 515 A HA 0.863 5.183 4.320 -0.000 0.000 0.311 515 A C -0.300 177.241 177.584 -0.073 0.000 1.068 515 A CA -0.554 51.460 52.037 -0.037 0.000 0.744 515 A CB 1.723 20.698 19.000 -0.042 0.000 1.239 515 A HN 0.712 nan 8.150 nan 0.000 0.435 516 T N 2.321 116.849 114.554 -0.042 0.000 2.770 516 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 516 T C -0.555 174.097 174.700 -0.080 0.000 0.988 516 T CA 0.094 62.125 62.100 -0.116 0.000 0.957 516 T CB 0.399 69.129 68.868 -0.230 0.000 0.930 516 T HN 0.394 nan 8.240 nan 0.000 0.443 517 I N 3.370 123.888 120.570 -0.087 0.000 2.359 517 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 517 I C -0.236 175.859 176.117 -0.036 0.000 1.018 517 I CA -0.727 60.545 61.300 -0.048 0.000 1.173 517 I CB 1.286 39.265 38.000 -0.035 0.000 1.326 517 I HN 0.298 nan 8.210 nan 0.000 0.462 518 V N 7.179 127.086 119.914 -0.011 0.000 2.383 518 V HA 0.398 4.518 4.120 -0.000 0.000 0.275 518 V C 0.491 176.621 176.094 0.060 0.000 1.036 518 V CA -0.525 61.792 62.300 0.028 0.000 0.889 518 V CB 1.397 33.261 31.823 0.069 0.000 0.985 518 V HN 0.436 nan 8.190 nan 0.000 0.459 519 V N 0.000 119.951 119.914 0.061 0.000 2.409 519 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 519 V CA 0.000 62.333 62.300 0.055 0.000 1.235 519 V CB 0.000 31.851 31.823 0.046 0.000 1.184 519 V HN 0.000 nan 8.190 nan 0.000 0.556